Receptor
PDB id Resolution Class Description Source Keywords
4QVH 1.75 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE ESSENTIAL MYCOBACTERIUM TUBERCULOSI PHOSPHOPANTETHEINYL TRANSFERASE PPTT, SOLVED AS A FUSION PRM ALTOSE BINDING PROTEIN ESCHERICHIA COLI, MYCOBACTERIUM TUBERCORGANISM_TAXID: 562, 83332 A/B-FOLD PHOSPHOPANTETHEINYL TRANSFERASE ACYL CARRIER PROTPEPTIDYL CARRIER PROTEIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE ESSENTIAL MYCOBACTERIUM TUBERCULOSIS PHOSPHOPANTETHEINYL TRANSFERASE PPTT, A FUSION PROTEIN WITH MALTOSE BINDING PROTEIN. J.STRUCT.BIOL. V. 188 274 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:602;
B:602;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
MG A:603;
B:603;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
GOL A:606;
B:604;
A:607;
B:605;
A:604;
B:606;
A:605;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
FLC A:608;
B:607;
Valid;
Valid;
none;
none;
submit data
189.1 C6 H5 O7 C(C(=...
MAL A:601;
B:601;
Valid;
Valid;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QVH 1.75 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF THE ESSENTIAL MYCOBACTERIUM TUBERCULOSI PHOSPHOPANTETHEINYL TRANSFERASE PPTT, SOLVED AS A FUSION PRM ALTOSE BINDING PROTEIN ESCHERICHIA COLI, MYCOBACTERIUM TUBERCORGANISM_TAXID: 562, 83332 A/B-FOLD PHOSPHOPANTETHEINYL TRANSFERASE ACYL CARRIER PROTPEPTIDYL CARRIER PROTEIN TRANSFERASE
Ref.: CRYSTAL STRUCTURE OF THE ESSENTIAL MYCOBACTERIUM TUBERCULOSIS PHOSPHOPANTETHEINYL TRANSFERASE PPTT, A FUSION PROTEIN WITH MALTOSE BINDING PROTEIN. J.STRUCT.BIOL. V. 188 274 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (99)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3VD8 - MTT C24 H42 O21 C([C@@H]1[....
2 3JYR Kd = 248 uM ACR C25 H43 N O18 C[C@@H]1[C....
3 4IFP - MAL C12 H22 O11 C([C@@H]1[....
4 5I04 - MAL C12 H22 O11 C([C@@H]1[....
5 3SET - MAL C12 H22 O11 C([C@@H]1[....
6 3SEY - MAL C12 H22 O11 C([C@@H]1[....
7 5B3Y - MAL C12 H22 O11 C([C@@H]1[....
8 1JW5 - GLC GLC n/a n/a
9 3Q29 - MAL C12 H22 O11 C([C@@H]1[....
10 1FQC - GLO GLC GLC n/a n/a
11 1ANF Ki = 3.5 uM GLC GLC n/a n/a
12 3MBP Ki = 0.16 uM GLC GLC GLC n/a n/a
13 1DMB Kd = 1.8 uM BCD C42 H70 O35 C([C@@H]1[....
14 1FQB - SOR GLC GLC n/a n/a
15 3SEU - MAL C12 H22 O11 C([C@@H]1[....
16 5B3X - MAL C12 H22 O11 C([C@@H]1[....
17 3G7W - MLR C18 H32 O16 C([C@@H]1[....
18 3Q26 - MAL C12 H22 O11 C([C@@H]1[....
19 4MBP Ki = 2.3 uM GLC GLC GLC GLC n/a n/a
20 1FQD - GLO GLC GLC GLC n/a n/a
21 3Q25 - MAL C12 H22 O11 C([C@@H]1[....
22 4JBZ - MAL C12 H22 O11 C([C@@H]1[....
23 3SER - MAL C12 H22 O11 C([C@@H]1[....
24 1LAX Kd = 2 uM GLC GLC n/a n/a
25 3SES - MAL C12 H22 O11 C([C@@H]1[....
26 1MDP - MAL C12 H22 O11 C([C@@H]1[....
27 1MDQ - MAL C12 H22 O11 C([C@@H]1[....
28 3SEX - MAL C12 H22 O11 C([C@@H]1[....
29 1JVX - MAL C12 H22 O11 C([C@@H]1[....
30 5B3Z - MAL C12 H22 O11 C([C@@H]1[....
31 1NL5 Kd = 6 nM MAL C12 H22 O11 C([C@@H]1[....
32 3G7V - MAL C12 H22 O11 C([C@@H]1[....
33 3RUM - MAL C12 H22 O11 C([C@@H]1[....
34 1JVY - MAL C12 H22 O11 C([C@@H]1[....
35 3Q28 - MAL C12 H22 O11 C([C@@H]1[....
36 3SEW - MAL C12 H22 O11 C([C@@H]1[....
37 3LBS - MAL C12 H22 O11 C([C@@H]1[....
38 1EZ9 Kd = 8 uM GLO GLC GLC GLC n/a n/a
39 3Q27 - MAL C12 H22 O11 C([C@@H]1[....
40 5BMY - MAL C12 H22 O11 C([C@@H]1[....
41 1FQA - SOR GLC GLC GLC n/a n/a
42 1MPD - MAL C12 H22 O11 C([C@@H]1[....
43 4RG5 - MAL C12 H22 O11 C([C@@H]1[....
44 3HPI Kd = 6.6 uM SUC C12 H22 O11 C([C@@H]1[....
45 5B3W - MAL C12 H22 O11 C([C@@H]1[....
46 2VGQ - MTT C24 H42 O21 C([C@@H]1[....
47 5IHJ - MLR C18 H32 O16 C([C@@H]1[....
48 5CFV - MAL C12 H22 O11 C([C@@H]1[....
49 5II5 - MAL C12 H22 O11 C([C@@H]1[....
50 5II4 - MAL C12 H22 O11 C([C@@H]1[....
51 5IQZ - MAL C12 H22 O11 C([C@@H]1[....
52 4WMT - 865 C37 H36 N6 O4 Cc1ccnc(c1....
53 4WGI - MAL C12 H22 O11 C([C@@H]1[....
54 4WMX Kd = 14.1 uM 3R7 C15 H13 N O4 S C=Cc1ccc(c....
55 4WMV ic50 = 93 uM 3R4 C9 H4 Cl F O2 S c1cc2c(cc1....
56 4WMW - MAL C12 H22 O11 C([C@@H]1[....
57 4WMS - MAL C12 H22 O11 C([C@@H]1[....
58 5LOF Kd = 0.19 nM 70R C39 H37 Cl F4 N6 O6 S Cc1c(ccc(c....
59 4WMU Kd = 0.18 uM 19H C20 H19 Cl2 N O3 Cc1cc(cc(c....
60 5OSQ - MAL C12 H22 O11 C([C@@H]1[....
61 3D4G - MAL C12 H22 O11 C([C@@H]1[....
62 4WVH - MAL C12 H22 O11 C([C@@H]1[....
63 4WVG - MAL C12 H22 O11 C([C@@H]1[....
64 4WTH - MAL C12 H22 O11 C([C@@H]1[....
65 4YS9 - MAL C12 H22 O11 C([C@@H]1[....
66 4TSM - MTT C24 H42 O21 C([C@@H]1[....
67 4MY2 - MAL C12 H22 O11 C([C@@H]1[....
68 4KYC - MAL C12 H22 O11 C([C@@H]1[....
69 1HSJ - GLC GLC n/a n/a
70 5HZ7 - MLR C18 H32 O16 C([C@@H]1[....
71 1URD - MLR C18 H32 O16 C([C@@H]1[....
72 1URS - MLR C18 H32 O16 C([C@@H]1[....
73 1URG Kd = 1.5 uM MAL C12 H22 O11 C([C@@H]1[....
74 3H4Z - GLC GLC n/a n/a
75 5WPZ - MAL C12 H22 O11 C([C@@H]1[....
76 5WQ6 - MAL C12 H22 O11 C([C@@H]1[....
77 5H7Q - MAL C12 H22 O11 C([C@@H]1[....
78 3DM0 - GLC GLC n/a n/a
79 3OAI - MAL C12 H22 O11 C([C@@H]1[....
80 5TTD - MLR C18 H32 O16 C([C@@H]1[....
81 4KYD - MAL C12 H22 O11 C([C@@H]1[....
82 5JST - MAL C12 H22 O11 C([C@@H]1[....
83 2XZ3 - MAL C12 H22 O11 C([C@@H]1[....
84 3N94 - MAL C12 H22 O11 C([C@@H]1[....
85 4QVH - FLC C6 H5 O7 C(C(=O)[O-....
86 4XZS - GLC GLC n/a n/a
87 5H7N - MTT C24 H42 O21 C([C@@H]1[....
88 4PE2 - MAL MAL n/a n/a
89 3O3U - MLR C18 H32 O16 C([C@@H]1[....
90 4IKM - MAL C12 H22 O11 C([C@@H]1[....
91 1Y4C - GLC GLC n/a n/a
92 5T05 - A3P C10 H15 N5 O10 P2 c1nc(c2c(n....
93 5T0A - GNS BDP GNS IDS GNS BDP NPO n/a n/a
94 5T03 - GNS BDP GNS BDP GNS BDP NPO n/a n/a
95 5C7R - MLR C18 H32 O16 C([C@@H]1[....
96 5DFM - MAL C12 H22 O11 C([C@@H]1[....
97 4IRL - MTT C24 H42 O21 C([C@@H]1[....
98 1MG1 - MAL C12 H22 O11 C([C@@H]1[....
99 5AZ7 - MAL C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: COA; Similar ligands found: 197
No: Ligand ECFP6 Tc MDL keys Tc
1 COA 1 1
2 0T1 0.894737 0.976744
3 DCA 0.893805 0.954023
4 COS 0.887931 0.977012
5 ETB 0.877193 0.920455
6 CAO 0.871795 0.965909
7 AMX 0.871795 0.988235
8 30N 0.871795 0.913979
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 FAM 0.857143 0.954545
12 ACO 0.857143 0.965909
13 FCX 0.857143 0.94382
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 CA6 0.836066 0.885417
18 SOP 0.836066 0.977012
19 MCD 0.836066 0.954545
20 COK 0.836066 0.977012
21 OXK 0.836066 0.977012
22 NMX 0.829268 0.903226
23 CO6 0.829268 0.977012
24 CMC 0.829268 0.977012
25 1VU 0.829268 0.965909
26 CAJ 0.822581 0.954545
27 SCD 0.822581 0.976744
28 2MC 0.822581 0.934066
29 2CP 0.81746 0.965909
30 BCO 0.816 0.977012
31 3HC 0.816 0.988372
32 1HE 0.816 0.955056
33 MLC 0.816 0.977012
34 A1S 0.816 0.977012
35 IVC 0.816 0.988372
36 COD 0.810345 0.988235
37 CAA 0.809524 0.988372
38 COO 0.809524 0.977012
39 MCA 0.809524 0.965909
40 YE1 0.809524 0.965517
41 SCA 0.80315 0.977012
42 MC4 0.80315 0.923913
43 IRC 0.796875 0.988372
44 3CP 0.796875 0.977012
45 CA8 0.796875 0.885417
46 BYC 0.796875 0.977012
47 COW 0.796875 0.965909
48 2KQ 0.796875 0.955056
49 COF 0.796875 0.955056
50 HGG 0.796875 0.977012
51 1GZ 0.796875 0.965909
52 4CA 0.790698 0.965909
53 FAQ 0.790698 0.977012
54 BCA 0.790698 0.965909
55 GRA 0.784615 0.977012
56 HXC 0.784615 0.955056
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 1CZ 0.772727 0.965909
60 CO8 0.772727 0.955056
61 S0N 0.772727 0.954545
62 2NE 0.772727 0.955056
63 CIC 0.772727 0.977012
64 0FQ 0.766917 0.977012
65 ST9 0.766917 0.955056
66 4CO 0.766917 0.965909
67 UCC 0.766917 0.955056
68 MFK 0.766917 0.955056
69 DCC 0.766917 0.955056
70 MYA 0.766917 0.955056
71 5F9 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 CS8 0.755556 0.944444
75 WCA 0.755556 0.955056
76 4KX 0.75 0.944444
77 UOQ 0.75 0.955056
78 NHW 0.75 0.955056
79 HDC 0.75 0.955056
80 NHM 0.75 0.955056
81 HFQ 0.744526 0.955056
82 MRS 0.744526 0.955056
83 MRR 0.744526 0.955056
84 DAK 0.73913 0.944444
85 YNC 0.73913 0.965909
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 1HA 0.713287 0.955056
89 01K 0.708333 0.977012
90 COT 0.703448 0.977012
91 CCQ 0.695652 0.934066
92 CA3 0.693878 0.977012
93 CA5 0.671053 0.934066
94 UCA 0.666667 0.955056
95 93P 0.666667 0.965909
96 CO7 0.664234 0.977012
97 93M 0.64557 0.965909
98 OXT 0.634146 0.913979
99 5TW 0.607143 0.913979
100 4BN 0.607143 0.913979
101 PAP 0.603604 0.811765
102 JBT 0.598837 0.894737
103 BSJ 0.592814 0.944444
104 HMG 0.581081 0.943182
105 COA MYR 0.573333 0.922222
106 PLM COA 0.573333 0.922222
107 COA PLM 0.573333 0.922222
108 A3P 0.54955 0.8
109 PPS 0.547009 0.752688
110 0WD 0.521739 0.788889
111 RFC 0.490683 0.955056
112 SFC 0.490683 0.955056
113 191 0.490196 0.865979
114 3AM 0.482143 0.788235
115 PTJ 0.48062 0.872093
116 ACE SER ASP ALY THR NH2 COA 0.478261 0.932584
117 4PS 0.477477 0.682353
118 A22 0.468254 0.813953
119 A2D 0.465517 0.802326
120 PUA 0.462585 0.820225
121 PAJ 0.460938 0.883721
122 AGS 0.459016 0.806818
123 SAP 0.459016 0.806818
124 ATR 0.459016 0.8
125 3OD 0.458015 0.825581
126 ADP 0.453782 0.823529
127 A2R 0.448819 0.813953
128 BA3 0.445378 0.802326
129 NA7 0.442748 0.858824
130 OAD 0.442748 0.825581
131 ATP 0.442623 0.823529
132 AP5 0.441667 0.802326
133 B4P 0.441667 0.802326
134 APR 0.439024 0.802326
135 5FA 0.439024 0.823529
136 2A5 0.439024 0.847059
137 AQP 0.439024 0.823529
138 AR6 0.439024 0.802326
139 AN2 0.438017 0.813953
140 48N 0.435714 0.808989
141 M33 0.434426 0.813953
142 SRP 0.429688 0.837209
143 ANP 0.428571 0.804598
144 ADQ 0.427481 0.804598
145 YLB 0.426573 0.908046
146 YLP 0.425532 0.886364
147 5AL 0.425197 0.813953
148 7D3 0.425 0.793103
149 AD9 0.424 0.804598
150 APU 0.423611 0.786517
151 7D4 0.422764 0.793103
152 CA0 0.422764 0.804598
153 25L 0.422222 0.813953
154 ATF 0.421875 0.795455
155 NJP 0.421769 0.806818
156 A2P 0.421488 0.788235
157 A A A 0.421053 0.813953
158 8QN 0.419847 0.813953
159 PNS 0.419643 0.682353
160 ACP 0.419355 0.825581
161 NDP 0.417808 0.788889
162 ACQ 0.417323 0.825581
163 A1R 0.416667 0.882353
164 ATP A A A 0.416058 0.770115
165 A 0.415254 0.8
166 AMP 0.415254 0.8
167 FYA 0.414815 0.813953
168 1ZZ 0.414815 0.842697
169 TXA 0.414815 0.816092
170 NB8 0.414815 0.808989
171 AHX 0.413534 0.829545
172 DLL 0.413534 0.793103
173 00A 0.413534 0.758242
174 PAX 0.412903 0.793478
175 OMR 0.409722 0.853933
176 25A 0.409091 0.802326
177 OOB 0.409091 0.793103
178 NPW 0.408163 0.822222
179 WAQ 0.407407 0.860465
180 A A 0.407407 0.781609
181 TAT 0.40625 0.816092
182 4AD 0.406015 0.827586
183 AMO 0.406015 0.837209
184 YAP 0.405797 0.806818
185 FA5 0.405797 0.816092
186 TXP 0.405405 0.829545
187 ABM 0.404959 0.781609
188 PRX 0.404762 0.825581
189 ME8 0.404412 0.842697
190 BIS 0.404412 0.818182
191 AFH 0.404255 0.78022
192 J7V 0.403846 0.778947
193 NAI 0.402778 0.777778
194 ODP 0.402685 0.78022
195 ADX 0.4 0.752688
196 SRA 0.4 0.784091
197 AU1 0.4 0.804598
Ligand no: 2; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Ligand no: 3; Ligand: MAL; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 GLC BGC 1 1
3 MAL MAL 1 0.970588
4 BGC GLC 1 1
5 CBI 1 1
6 GAL BGC 1 1
7 CBK 1 1
8 BGC BMA 1 1
9 N9S 1 1
10 GLA GLA 1 1
11 BGC GAL 1 1
12 GAL GLC 1 1
13 GLC GAL 1 1
14 BMA BMA 1 1
15 GLA GAL 1 1
16 BMA GAL 1 1
17 LAT 1 1
18 MAB 1 1
19 MAL 1 1
20 B2G 1 1
21 CEX 0.909091 1
22 BGC GLC GLC GLC GLC 0.909091 1
23 GLC GLC GLC GLC GLC 0.909091 1
24 CTR 0.909091 1
25 MTT 0.909091 1
26 CE5 0.909091 1
27 BMA BMA BMA BMA BMA 0.909091 1
28 CTT 0.909091 1
29 CT3 0.909091 1
30 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
31 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
32 BGC BGC BGC GLC 0.909091 1
33 CEY 0.909091 1
34 MAN MAN BMA BMA BMA BMA 0.909091 1
35 BMA BMA BMA 0.909091 1
36 B4G 0.909091 1
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
38 GLC GAL GAL 0.909091 1
39 GLA GAL GLC 0.909091 1
40 GAL GAL GAL 0.909091 1
41 MAN BMA BMA BMA BMA 0.909091 1
42 MLR 0.909091 1
43 CE8 0.909091 1
44 MT7 0.909091 1
45 CE6 0.909091 1
46 GLC BGC BGC BGC BGC BGC 0.909091 1
47 GLC GLC BGC 0.909091 1
48 GLC BGC BGC 0.909091 1
49 GLC BGC GLC 0.909091 1
50 BMA MAN BMA 0.909091 1
51 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
52 BGC GLC GLC 0.909091 1
53 BGC GLC GLC GLC 0.909091 1
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
55 DXI 0.909091 1
56 BMA BMA BMA BMA BMA BMA 0.909091 1
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
58 GLC BGC BGC BGC BGC 0.909091 1
59 BGC BGC BGC BGC BGC BGC 0.909091 1
60 MAN BMA BMA 0.909091 1
61 MAN BMA BMA BMA BMA BMA 0.833333 0.970588
62 BMA BMA BMA BMA BMA BMA MAN 0.833333 0.970588
63 GLA GAL GAL 0.816327 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC 0.754717 1
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
67 BMA BMA GLA BMA BMA 0.689655 1
68 LAT GLA 0.680851 1
69 GLC GLC GLC BGC 0.672414 1
70 BGC BGC GLC 0.660377 1
71 U63 0.647059 0.891892
72 DR5 0.64 0.942857
73 MMA MAN 0.64 0.942857
74 GLA EGA 0.634615 0.942857
75 BMA BMA MAN 0.615385 0.970588
76 GAL FUC 0.615385 0.941176
77 BGC BGC 0.612245 1
78 MAN MAN 0.612245 1
79 2M4 0.612245 1
80 GLC GAL FUC 0.610169 0.970588
81 GLC GLC GLC GLC GLC GLC 0.610169 1
82 FUC LAT 0.610169 0.970588
83 FUC GAL GLC 0.610169 0.970588
84 BGC GAL FUC 0.610169 0.970588
85 LAT FUC 0.610169 0.970588
86 BGC GLA GAL FUC 0.609375 0.970588
87 GAL NAG GAL BGC 0.606061 0.733333
88 LAT NAG GAL 0.606061 0.733333
89 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
90 BGC GAL NAG GAL 0.606061 0.733333
91 MAN GLC 0.6 1
92 LB2 0.6 1
93 M3M 0.6 1
94 SGA BGC 0.6 0.702128
95 MAL EDO 0.592593 0.942857
96 BGC BGC BGC XYS GAL 0.588235 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
98 GLC GAL NAG GAL 0.588235 0.733333
99 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
101 NGA GAL BGC 0.587302 0.733333
102 TRE 0.581395 1
103 ABD 0.57971 0.75
104 NDG GAL 0.578947 0.733333
105 GAL NDG 0.578947 0.733333
106 5GO 0.578947 0.66
107 NLC 0.578947 0.733333
108 DEL 0.574074 0.970588
109 GAL NGA GLA BGC GAL 0.571429 0.733333
110 MVP 0.571429 0.733333
111 GAL BGC BGC XYS 0.569231 0.942857
112 GLC GLC FRU 0.569231 0.868421
113 BMA MAN 0.566038 0.914286
114 GLC GLC XYP 0.557377 1
115 BGC BGC XYS BGC 0.552239 0.942857
116 NAG GAL BGC 0.552239 0.733333
117 GLA GAL BGC 5VQ 0.551724 0.891892
118 G2F BGC BGC BGC BGC BGC 0.55 0.868421
119 GLA MBG 0.54902 0.942857
120 GLC ACI GLD GLC 0.547945 0.785714
121 GLC G6D ACI GLC 0.547945 0.785714
122 GLC ACI G6D BGC 0.547945 0.785714
123 GLC G6D ADH GLC 0.547945 0.785714
124 GLC BGC BGC BGC 0.545455 1
125 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
126 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
127 BGC BGC BGC 0.545455 1
128 BGC BGC BGC GLC BGC BGC 0.545455 1
129 BGC BGC BGC BGC BGC 0.545455 1
130 MAN MAN BMA 0.535714 1
131 NGA GLA GAL BGC 0.535211 0.733333
132 BMA MAN MAN 0.534483 1
133 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
134 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
138 GLA GAL GLC NBU 0.52459 0.846154
139 FUC BGC GAL 0.52459 0.970588
140 GLC ACI GLD GAL 0.519481 0.733333
141 GLC ACI G6D GLC 0.519481 0.733333
142 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
144 DOM 0.509091 0.942857
145 GAL GAL SO4 0.508197 0.702128
146 DMU 0.507937 0.785714
147 LMT 0.507937 0.785714
148 LMU 0.507937 0.785714
149 G2I 0.507937 0.767442
150 G3I 0.507937 0.767442
151 OXZ BGC BGC 0.507937 0.6875
152 UMQ 0.507937 0.785714
153 GLC AGL GLC HMC 0.506329 0.717391
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
157 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
159 NAG GAL GAL 0.5 0.733333
160 SOR GLC GLC 0.5 0.970588
161 GAL GAL GLC EMB MEC 0.5 0.622642
162 FMO 0.5 0.868421
163 MAN BMA NAG 0.5 0.733333
164 GLA GAL NAG 0.5 0.733333
165 8VZ 0.5 0.673469
166 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
167 GLC GLC AGL HMC GLC 0.493827 0.733333
168 GLC GLC DAF BGC 0.493827 0.733333
169 AAO 0.493827 0.733333
170 ARE 0.493827 0.733333
171 ACR GLC GLC GLC 0.493827 0.733333
172 GLC GLC XYS 0.492308 0.970588
173 CGC 0.491525 0.941176
174 5QP 0.491228 0.885714
175 MDM 0.490909 0.942857
176 RZM 0.490909 0.688889
177 M13 0.490909 0.942857
178 GAL MBG 0.490909 0.942857
179 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
180 BGC BGC G2F SHG 0.485714 0.846154
181 MAN NAG GAL 0.485294 0.733333
182 GAL NAG MAN 0.485294 0.733333
183 6UZ 0.484848 0.846154
184 SOR GLC GLC GLC 0.484848 0.970588
185 LAG 0.484848 0.6
186 MAN MNM 0.482759 0.75
187 GAL BGC NAG GAL 0.478873 0.733333
188 10M 0.477612 0.733333
189 GTM BGC BGC 0.477612 0.868421
190 MAN MAN MAN MAN 0.476923 1
191 MAN MAN BMA MAN 0.476923 1
192 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
193 NAG BMA 0.47619 0.653061
194 GAL NGA 0.47541 0.733333
195 GAL A2G 0.47541 0.733333
196 A2G GAL 0.47541 0.733333
197 BMA GLA 0.472727 1
198 LAK 0.472727 1
199 GAL GAL 0.472727 1
200 GLA GLC 0.472727 1
201 MLB 0.472727 1
202 GLA BMA 0.472727 1
203 BGC GLA 0.472727 1
204 MAN BMA 0.472727 1
205 GLA BGC 0.472727 1
206 NPJ 0.470588 0.622642
207 FUC GAL NAG GAL BGC 0.469136 0.717391
208 MAN MAN MAN GLC 0.46875 1
209 ABL 0.466667 0.702128
210 BMA FRU 0.465517 0.842105
211 FRU GAL 0.465517 0.842105
212 NOY BGC 0.465517 0.75
213 TM6 0.463768 0.916667
214 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
215 LSE 0.462687 0.6875
216 GLA GLA FUC 0.460317 0.970588
217 FUC GAL GLA 0.460317 0.970588
218 GAL GAL FUC 0.460317 0.970588
219 GLA GAL FUC 0.460317 0.970588
220 FUC GLA GLA 0.460317 0.970588
221 DAF BGC 0.458333 0.785714
222 DAF GLC 0.458333 0.785714
223 IFM BMA 0.457627 0.744186
224 BGC OXZ 0.457627 0.666667
225 IFM BGC 0.457627 0.744186
226 BMA IFM 0.457627 0.744186
227 9MR 0.457627 0.744186
228 GLO GLC GLC 0.457143 0.942857
229 RCB 0.457143 0.622642
230 GLC GLC GLC GLC GLC BGC 0.45614 1
231 GLC GLC GLC 0.45614 1
232 GLC GLC GLC GLC BGC 0.45614 1
233 MAN MAN MAN 0.45614 1
234 GLC 0.454545 0.848485
235 BMA 0.454545 0.848485
236 GXL 0.454545 0.848485
237 WOO 0.454545 0.848485
238 GIV 0.454545 0.848485
239 GAL 0.454545 0.848485
240 MAN 0.454545 0.848485
241 BGC 0.454545 0.848485
242 ALL 0.454545 0.848485
243 GLA 0.454545 0.848485
244 GLC GLC GLC GLC 0.453125 1
245 MGL SGC GLC GLC 0.450704 0.868421
246 CM5 0.450704 0.891892
247 MAN MAN MAN BMA MAN 0.450704 1
248 BGC BGC SGC MGL 0.450704 0.868421
249 GLC DMJ 0.45 0.727273
250 A2G GAL BGC FUC 0.45 0.717391
251 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
252 NOJ GLC 0.45 0.727273
253 PA1 GCS 0.448276 0.804878
254 GCS GCS 0.448276 0.804878
255 M5S 0.447761 1
256 MAN BMA MAN MAN MAN 0.447761 1
257 GLC GLC XYS XYS 0.447761 0.914286
258 DAF BGC GLC 0.447368 0.785714
259 TXT 0.447368 0.767442
260 GAC 0.447368 0.767442
261 DAF GLC GLC 0.447368 0.785714
262 ACI GLD GLC GAL 0.447368 0.785714
263 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
264 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
265 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.6875
267 NAG GAL GAL NAG 0.445946 0.6875
268 MA4 0.444444 0.891892
269 QV4 0.444444 0.733333
270 GLO GLC GLC GLC 0.444444 0.942857
271 MAN DGO 0.440678 0.914286
272 3SA 0.44 0.733333
273 Z6J 0.439024 0.742857
274 AHR 0.439024 0.742857
275 32O 0.439024 0.742857
276 FUB 0.439024 0.742857
277 RIB 0.439024 0.742857
278 T6P 0.438596 0.767442
279 GYP 0.4375 0.857143
280 AMG 0.4375 0.857143
281 MMA 0.4375 0.857143
282 MBG 0.4375 0.857143
283 4MU BGC BGC 0.434211 0.767442
284 ISX 0.433333 0.761905
285 MAN 7D1 0.431034 0.888889
286 QPS 0.43038 0.733333
287 ACR 0.43038 0.733333
288 4MU BGC BGC BGC BGC 0.428571 0.767442
289 GAL MGC 0.428571 0.702128
290 GAL NGA A2G 0.426471 0.673469
291 FUC NAG GAL 0.422535 0.717391
292 FUC NDG GAL 0.422535 0.717391
293 GAL NAG FUC 0.422535 0.717391
294 GAL NDG FUC 0.422535 0.717391
295 KHO 0.421053 0.888889
296 HMC AGL GLC 0.421053 0.717391
297 GCS GCS GCS GCS GCS 0.419355 0.804878
298 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
299 GCS GCS GCS 0.419355 0.804878
300 GAL NAG GAL 0.418919 0.702128
301 GAL NGT 0.41791 0.66
302 P3M 0.41791 0.767442
303 NGT GAL 0.41791 0.66
304 ACR GLC GLC GLC GLC 0.417722 0.733333
305 ACR GLC 0.417722 0.733333
306 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
307 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
308 TUR 0.416667 0.842105
309 BTU 0.416667 0.842105
310 GLA MAN ABE 0.414286 0.916667
311 NAG NDG BMA 0.413333 0.634615
312 NAG NAG BMA 0.413333 0.634615
313 AHR AHR AHR 0.410714 0.857143
314 FUB AHR AHR 0.410714 0.857143
315 GLF B8D 0.409836 0.775
316 VAM 0.409836 0.868421
317 ACI G6D GLC ACI G6D BGC 0.409639 0.75
318 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
319 AC1 GLC AC1 BGC 0.409639 0.75
320 DAF GLC DAF GLC GLC 0.409639 0.75
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
322 ACI GLD GLC ACI G6D BGC 0.409639 0.75
323 MAN MMA MAN 0.409091 0.942857
324 AHR AHR 0.407407 0.857143
325 FUB AHR 0.407407 0.857143
326 NAG BMA MAN MAN MAN MAN 0.407407 0.733333
327 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
328 4U0 0.406593 0.66
329 GLA MAN RAM ABE 0.405063 0.891892
330 BGC BGC SSG PIH 0.405063 0.767442
331 M1P 0.403846 0.697674
332 GL1 0.403846 0.697674
333 XGP 0.403846 0.697674
334 G1P 0.403846 0.697674
335 MAN IFM 0.403226 0.761905
336 GLC IFM 0.403226 0.761905
337 XZZ BGC BGC 0.402439 0.702128
338 ACG 0.402299 0.695652
339 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QVH; Ligand: MAL; Similar sites found: 8
This union binding pocket(no: 1) in the query (biounit: 4qvh.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QM5 GLC GLC GLC PO4 SGC GLC 0.01553 0.42206 1.17057
2 1W2Y DUN 0.01441 0.40766 3.05677
3 3G4G D71 0.01344 0.40565 3.32542
4 4BLW AMP 0.02093 0.40051 3.46021
5 2W3L DRO 0.008403 0.41636 4.16667
6 1ZB6 GST 0.02495 0.40575 4.56026
7 4UAC ACR 0.001811 0.44771 29.25
8 2BOS GLA GAL 0.008943 0.40611 29.4118
Pocket No.: 2; Query (leader) PDB : 4QVH; Ligand: MAL; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4qvh.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4QVH; Ligand: FLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4qvh.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4QVH; Ligand: COA; Similar sites found: 250
This union binding pocket(no: 4) in the query (biounit: 4qvh.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.02146 0.44117 None
2 1UO4 PIH 0.02876 0.42605 None
3 2YVF NAD 0.001632 0.4208 1.22549
4 2YVF FAD 0.001551 0.4208 1.22549
5 3O2K QRP 0.004201 0.41944 1.26582
6 3O2K DST 0.01637 0.40387 1.26582
7 3L6R MLI 0.02508 0.41024 1.44509
8 3NNF AKG 0.00988 0.42383 1.45349
9 4OYA 1VE 0.002555 0.43153 1.48936
10 4CCN OGA 0.003465 0.44486 1.49893
11 4CCO OGA 0.007877 0.41765 1.49893
12 2ZJ5 ADP 0.007671 0.42332 1.50502
13 1CKM GTP 0.001778 0.40842 1.51515
14 3L24 GOA 0.0004555 0.51243 1.54739
15 3QV9 QV7 0.005772 0.42884 1.60321
16 4IVG ANP 0.00181 0.41136 1.67224
17 1Y7P RIP 0.02246 0.41836 1.79372
18 1I0Z OXM 0.01977 0.42764 1.8018
19 4LHM AZZ 0.01105 0.41624 1.81818
20 2YIV NBN 0.00132 0.47157 1.83946
21 2YIV YIV 0.02285 0.41798 1.83946
22 1C7S CBS 0.004905 0.41224 1.83946
23 2QLX RM4 0.008197 0.43362 1.85185
24 1TFZ 869 0.000912 0.41839 1.88679
25 4HA6 FAD 0.001253 0.41089 1.9685
26 1Q0H FOM 0.001383 0.41148 1.97044
27 1E5F PLP 0.002044 0.41821 1.9802
28 1UF5 CDT 0.01039 0.40345 1.9802
29 2ZWS PLM 0.008442 0.46422 2.00669
30 1PR9 NAP 0.0002232 0.4222 2.04918
31 3QO8 SSA 0.0006206 0.43748 2.06186
32 1ZED PNP 0.01012 0.42922 2.06612
33 1PEA ACM 0.0008504 0.48911 2.07792
34 1Z45 GAL 0.01331 0.40777 2.17391
35 1LTH NAD 0.005914 0.40059 2.19436
36 1C0I FAD 0.002522 0.40311 2.20386
37 1C0I BE2 0.002522 0.40311 2.20386
38 2CKM AA7 0.002277 0.40063 2.20994
39 1TDF FAD 0.003106 0.4011 2.21519
40 4WBD ADP 0.002766 0.4562 2.21811
41 4WBD CIT 0.013 0.43023 2.21811
42 3SHR CMP 0.007587 0.40901 2.34114
43 1RYI GOA 0.0009579 0.52396 2.35602
44 1Q3Q ANP 0.004858 0.40201 2.37226
45 1Q11 TYE 0.00318 0.43467 2.41935
46 1FBL HTA 0.006101 0.41286 2.43243
47 4E28 9MZ 0.0008789 0.47234 2.46154
48 4E28 0MZ 0.001287 0.45791 2.46154
49 4USS GSH 0.001468 0.44915 2.46154
50 4O8A 2OP 0.01243 0.43815 2.50836
51 4KCT FDP 0.001821 0.4292 2.60521
52 2QCX PF1 0.008805 0.42064 2.6616
53 4WX0 HXD 0.002402 0.4156 2.6616
54 2GWD GLU 0.01164 0.40573 2.67261
55 3IOI 1GW 0.0008836 0.4027 2.68456
56 2OWZ CIT 0.001183 0.46639 2.71084
57 2Q8M AMP 0.001859 0.42885 2.71084
58 2RCN GDP 0.006059 0.41298 2.7933
59 3DX5 DHB 0.00124 0.44094 2.7972
60 2YFT DQR 0.004724 0.40466 2.8021
61 2Z9V PXM 0.003063 0.43537 2.80612
62 1H16 PYR 0.004291 0.45421 2.84281
63 1H16 DTL 0.03592 0.41407 2.84281
64 2NCD ADP 0.006245 0.42731 2.85714
65 2JC9 ADN 0.008608 0.41598 2.88288
66 3DER ALA LYS 0.001351 0.40877 2.89855
67 2R14 FMN 0.0001751 0.4185 2.91777
68 2R14 TXD 0.00005224 0.41476 2.91777
69 4RJK PYR 0.04766 0.40186 2.97723
70 3M6W SAM 0.005915 0.40102 3.01724
71 2IZ1 ATR 0.01798 0.41177 3.16456
72 4M5P MLA 0.01831 0.43675 3.1941
73 4M5P FMN 0.001852 0.40417 3.1941
74 3O7B SAH 0.0006419 0.42785 3.27869
75 3LM9 ADP 0.008689 0.40244 3.31126
76 2B7N NTM 0.01679 0.40809 3.34448
77 3M31 FAD 0.001463 0.40062 3.35052
78 1GU3 BGC BGC BGC BGC BGC 0.00336 0.43364 3.3557
79 2Y6P CTP 0.01199 0.40092 3.4188
80 2Q8H TF4 0.00344 0.46705 3.4398
81 4W6Z ETF 0.0469 0.40796 3.45821
82 1DLJ NAI 0.003089 0.40379 3.48259
83 4IHQ ADP 0.008353 0.41177 3.50877
84 2XDQ MGX 0.01686 0.43126 3.5225
85 1KYZ SAH 0.002997 0.40424 3.56164
86 3SQG COM 0.005791 0.46385 3.58423
87 1YHM AHD 0.00479 0.43246 3.59116
88 3SIX GDP 0.006429 0.4076 3.63636
89 1A59 CIT 0.03381 0.40395 3.7037
90 1JH7 UVC 0.02299 0.40194 3.7037
91 4M4Q 21A 0.0003456 0.41684 3.73444
92 1ZJ6 G3D 0.006632 0.40707 3.74332
93 2HFK E4H 0.009427 0.41427 3.76176
94 3U1T MLI 0.01762 0.41764 3.8835
95 1SS4 CIT 0.000029 0.63062 3.92157
96 1SS4 GSH 0.003156 0.4931 3.92157
97 4LIT AKG 0.00538 0.4302 3.9312
98 1UCN ADP 0.006242 0.40402 3.94737
99 3NKS ACJ 0.005703 0.40161 3.98323
100 2VDJ HSE 0.01031 0.43526 3.98671
101 3P7I P7I 0.007367 0.4189 4.04984
102 2EB5 OXL 0.001063 0.46854 4.11985
103 1Q6O LG6 0.001759 0.42064 4.16667
104 4L7I SAM 0.00361 0.4051 4.1769
105 3ZPG 5GP 0.00441 0.46147 4.18848
106 1H8G CHT 0.00851 0.46402 4.21053
107 4AF5 CIT 0.008191 0.4276 4.21053
108 3D2Y AH0 ALA FGA LYS 0.002365 0.40787 4.21456
109 3RK0 AMP 0.0003277 0.45852 4.21941
110 3W54 RNB 0.003916 0.41178 4.25532
111 3ZF8 GDP 0.008407 0.4072 4.2623
112 3E81 SLB 0.002709 0.4435 4.26829
113 4JWX 1N4 0.002527 0.43898 4.28571
114 3P3N AKG 0.00708 0.43053 4.29799
115 2WA4 069 0.002618 0.42299 4.29799
116 4B7E OGA 0.01267 0.41357 4.29799
117 3LST SAH 0.001579 0.42688 4.31034
118 1RYD GLC 0.005243 0.43656 4.34783
119 1QDS PGA 0.00753 0.40914 4.38247
120 2Q37 3AL 0.002192 0.4476 4.41989
121 1Z44 NPO 0.0007709 0.52305 4.43787
122 1Z44 FMN 0.0004641 0.44723 4.43787
123 2VQ5 LDP 0.0003998 0.51536 4.47761
124 2VQ5 HBA 0.01873 0.41636 4.47761
125 3PLN U5P 0.01472 0.40588 4.48113
126 1RHC F42 ACN 0.0001486 0.40848 4.54545
127 1ECM TSA 0.00305 0.4301 4.58716
128 4HZO COA 0.01183 0.40999 4.71698
129 1OYB FMN 0.0008233 0.40858 4.75
130 3KYF 5GP 5GP 0.003949 0.42053 4.7619
131 4JCA CIT 0.009401 0.45247 4.79042
132 1QZZ SAM 0.00571 0.4055 4.81283
133 2C5S AMP 0.001528 0.44265 4.84262
134 1SQ5 PAU 0.008701 0.41578 4.8495
135 3DG6 MUC 0.006858 0.40245 4.90463
136 4C2G ALA ALA ALA ALA 0.008384 0.4117 4.93274
137 4OJ8 AKG 0.0009009 0.41857 5.01672
138 1JGS SAL 0.0006925 0.52568 5.07246
139 1Y75 NAG 0.004205 0.42426 5.08475
140 4IXW IXW 0.01021 0.40812 5.11811
141 1GPJ CIT 0.003047 0.44744 5.19802
142 2Q3M MLA 0.03691 0.41345 5.21472
143 2F2U M77 0.001142 0.44238 5.22388
144 4PTZ FMN 0.004887 0.40033 5.2356
145 4R33 TRP 0.0009938 0.4025 5.2381
146 4R33 SAH 0.0009938 0.4025 5.2381
147 2OHV NHL 0.003662 0.42677 5.30303
148 1F5F DHT 0.003722 0.40462 5.36585
149 1XE7 GUN 0.009604 0.44396 5.41872
150 2YLD CMO 0.003687 0.44362 5.51181
151 4B16 NAG 0.00001135 0.60994 5.6391
152 3U7Y FLC 0.02095 0.44895 5.67686
153 3CEV ARG 0.002373 0.43465 5.68562
154 3LTW HLZ 0.008994 0.42572 5.71429
155 1U7Z PMT 0.0007282 0.4066 5.75221
156 3CH5 GDP 0.0005055 0.45111 5.76923
157 1NF8 BOG 0.02719 0.40854 5.7971
158 1E4E PHY 0.005968 0.40087 5.8309
159 9LDT OXM 0.001202 0.50072 5.85284
160 1V6A TRE 0.01554 0.40959 5.85284
161 1R6W 164 0.00435 0.406 5.90062
162 3F3E LEU 0.0004133 0.41932 5.97302
163 3HF3 FMN 0.001489 0.40378 6.01719
164 3TKA CTN 0.003708 0.47138 6.05187
165 1QO0 BMD 0.002374 0.45244 6.12245
166 3BHO B4P 0.003955 0.47281 6.25
167 3W8S GSH 0.006061 0.4279 6.31068
168 2WMO GTP 0.003122 0.41555 6.31579
169 1GJW MAL 0.002351 0.42967 6.35452
170 1GJW GLC 0.01861 0.4165 6.35452
171 4J7H TLO 0.00271 0.40578 6.36943
172 1LYX PGA 0.005007 0.40769 6.45161
173 4COQ SAN 0.01545 0.41482 6.47773
174 3PNA CMP 0.003978 0.42527 6.49351
175 1B55 4IP 0.006627 0.40302 6.50888
176 1NXJ GLV 0.01356 0.40293 6.55738
177 1NXJ TLA 0.00482 0.40242 6.55738
178 2BZ1 TAU 0.04247 0.42415 6.63265
179 4B9E FAH 0.01713 0.41823 6.64452
180 3I6B KDO 0.0005124 0.46886 6.66667
181 1VQ2 DDN 0.00467 0.40105 6.73575
182 4EXO PYR 0.03686 0.40752 6.84932
183 3BK2 U5P 0.005733 0.40957 6.9395
184 5RHN 8BR 0.002662 0.41394 6.95652
185 3TFC PEP 0.007929 0.41752 7.01299
186 3A2Y TS5 0.002674 0.40983 7.1066
187 1EYQ NAR 0.0109 0.40692 7.20721
188 2VAR KDG 0.005779 0.40943 7.34824
189 4N7C AEF 0.01866 0.41644 7.38636
190 4M51 BEZ 0.003238 0.46028 7.49415
191 1VDC FAD 0.0007082 0.42278 7.50751
192 1V7R CIT 0.005109 0.4668 7.52688
193 2JBH 5GP 0.008709 0.41101 7.55556
194 3S9K CIT 0.0005964 0.52238 7.62712
195 4Q3F TLA 0.02228 0.40743 7.69231
196 1F1V DHY 0.001645 0.4413 7.73994
197 3NFD COA 0.02469 0.43289 7.84314
198 1TUV VK3 0.01396 0.43552 7.89474
199 2ZJF BSU 0.01017 0.40383 8.01105
200 2IYG FMN 0.007744 0.40441 8.06452
201 5EQU AKG 0.04076 0.40531 8.19672
202 4M7F BM3 0.01334 0.40774 8.40708
203 3SJ0 DXC 0.03186 0.40521 8.4507
204 2DVZ GLU 0.00545 0.41485 8.59873
205 4K30 NLG 0.00743 0.41874 8.75
206 1YOA FMN 0.03338 0.43017 8.80503
207 3UEC ALA ARG TPO LYS 0.005831 0.4407 8.90411
208 1DL7 NCH 0.008422 0.46358 8.92857
209 1U3I GSH 0.004118 0.43539 9.00474
210 1B74 DGN 0.01676 0.42472 9.05512
211 3MAG 3MA 0.01459 0.44212 9.12052
212 4U9W SER GLY ARG GLY LYS NH2 0.002677 0.44682 9.17874
213 1T0S BML 0.00004298 0.55343 9.30233
214 1SNY NAP 0.0004859 0.40534 9.3633
215 3R51 MMA 0.008467 0.4468 9.375
216 1QR0 COA 0.0001165 0.48255 9.64912
217 1XX4 BAM 0.001275 0.48934 9.699
218 1B5E DCM 0.0032 0.42922 9.7561
219 1DXY COI 0.02869 0.41919 9.90991
220 4B4D FAD 0.001134 0.41131 9.92366
221 4NAO AKG 0.01595 0.41973 10.1227
222 1M5B BN1 0.003855 0.40536 10.2662
223 1NU4 MLA 0.0247 0.42966 10.3093
224 1X1T NAD 0.008827 0.40104 10.3846
225 4F4S EFO 0.003019 0.43564 10.5263
226 1RZM E4P 0.00437 0.44671 10.6509
227 1RZM PEP 0.001811 0.44522 10.6509
228 1OGD RIP 0.004144 0.4297 10.687
229 2V5E SCR 0.01176 0.4472 10.8911
230 3F81 STT 0.003578 0.46617 10.929
231 1JA9 NDP 0.006991 0.40333 10.9489
232 4F8L GAL 0.004486 0.47905 11.0345
233 2BO4 FLC 0.00404 0.44833 11.0831
234 2JL1 NAP 0.001427 0.40439 11.1498
235 2YCD GTB 0.005539 0.41016 11.3043
236 1BTN I3P 0.001522 0.50975 11.3208
237 1T8U UAP SGN IDS SGN 0.0008864 0.41022 11.3971
238 4G28 0W8 0.009169 0.41008 11.7647
239 3E5H GNP 0.001007 0.40239 11.7978
240 1YRX FMN 0.002551 0.41891 12.3967
241 1QH9 LAC 0.02448 0.40552 12.5
242 1SC3 MLI 0.009287 0.43752 13.6364
243 1I1Q TRP 0.01259 0.40429 14.5833
244 2E1A MSE 0.007562 0.41358 14.6667
245 1N9L FMN 0.003062 0.40391 17.4312
246 1T10 F6P 0.01212 0.41443 19.0635
247 3HQJ COA 0.00004202 0.4002 19.2308
248 3BY8 MLT 0.006415 0.43872 23.2394
249 1O9U ADZ 0.009761 0.44359 27.7778
250 2O66 FLC 0.01327 0.41267 33.3333
Pocket No.: 5; Query (leader) PDB : 4QVH; Ligand: COA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4qvh.bio1) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4QVH; Ligand: FLC; Similar sites found: 284
This union binding pocket(no: 6) in the query (biounit: 4qvh.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1VBH PEP 0.02103 0.41418 0.83612
2 2DKH FAD 0.04006 0.43442 1.17057
3 2YVF NAD 0.003059 0.52336 1.22549
4 2YVF FAD 0.00298 0.52336 1.22549
5 2I4O ATP 0.01342 0.43288 1.31004
6 1GEX PLP HSA 0.005007 0.47852 1.40449
7 1CKN GTP 0.01664 0.42596 1.51515
8 2HXT EHM 0.006841 0.45354 1.5873
9 3A2Q ACA ACA 0.006653 0.45919 1.62272
10 1UBY DMA 0.004977 0.46595 1.63488
11 3SSO SAH 0.0183 0.43818 1.67064
12 4IVG ANP 0.01179 0.45119 1.67224
13 3CXO 3LR 0.03806 0.43005 1.68675
14 1KBJ FMN 0.02781 0.43371 1.69903
15 3ZTV ADN 0.01171 0.44211 1.72712
16 4HZX G39 0.01376 0.46697 1.80412
17 3DNT ATP 0.00372 0.4259 1.81818
18 2ZJ3 G6P 0.002813 0.48493 1.86667
19 1JIL 485 0.00006734 0.57662 1.90476
20 4HA6 FAD 0.00506 0.49709 1.9685
21 4HA6 PXM 0.007736 0.43863 1.9685
22 1Q0H FOM 0.01292 0.47506 1.97044
23 1Q0H NDP 0.01374 0.47506 1.97044
24 1XNK XS2 0.03763 0.41519 2.04082
25 3D3W NAP 0.04396 0.4312 2.04918
26 1P72 THM 0.004398 0.45373 2.09581
27 1P72 ADP 0.02578 0.44345 2.09581
28 1YBH CIE 0.007078 0.45857 2.20339
29 1YBH FAD 0.04226 0.43665 2.20339
30 1C0I FAD 0.02208 0.4602 2.20386
31 1C0I BE2 0.02208 0.4602 2.20386
32 2CKM AA7 0.006993 0.48809 2.20994
33 1TDF NAP 0.02498 0.4716 2.21519
34 1WVG CXY 0.03812 0.42143 2.22841
35 2VWT PYR 0.00315 0.45209 2.24719
36 2NX1 PEP 0.04565 0.42562 2.24719
37 2NX1 RP5 0.04577 0.42551 2.24719
38 3CQD ATP 0.01118 0.47024 2.26537
39 2PUL ACP 0.02825 0.42256 2.267
40 2P41 SAH 0.00297 0.47932 2.29508
41 2P41 G1G 0.03756 0.40685 2.29508
42 1X54 4AD 0.0127 0.45241 2.30415
43 4IOK XPO 0.00227 0.49354 2.32558
44 4IOK ADP 0.002754 0.49354 2.32558
45 4C0C WVH 0.01222 0.47621 2.35546
46 3O03 NAP 0.00396 0.48507 2.4055
47 3O03 GCO 0.007651 0.42498 2.4055
48 1ZFJ IMP 0.03004 0.44865 2.44399
49 4CMF PXG 0.03885 0.44818 2.48447
50 4AIG FLX 0.009167 0.44096 2.48756
51 3C1O NAP 0.0341 0.42781 2.49221
52 3WKX FUB 0.01961 0.41339 2.50836
53 1PL6 572 0.01447 0.45856 2.52809
54 1PL6 NAD 0.008468 0.45856 2.52809
55 1YS4 NAP 0.008032 0.46248 2.54237
56 4PO2 ASN ARG LEU LEU LEU THR GLY 0.02307 0.43441 2.55319
57 1NOW IFG 0.000767 0.49583 2.5641
58 1D6H COA 0.02435 0.4566 2.58398
59 2TOH HBI 0.02543 0.43587 2.62391
60 1TO9 HMH 0.005256 0.44404 2.69231
61 4F2Q QUS 0.004537 0.46087 2.71318
62 4LSJ LSJ 0.04812 0.41507 2.71318
63 1P9B GDP 0.03234 0.42113 2.71493
64 1V35 NAI 0.04471 0.43779 2.73556
65 2YBQ UP2 0.00664 0.48406 2.73973
66 2YBQ SAH 0.005055 0.46997 2.73973
67 4ME6 ADP 0.01842 0.41695 2.84974
68 4TSK NDP 0.01527 0.47932 2.85714
69 1IYE PGU 0.04341 0.42898 2.91262
70 1NZY BCA 0.01708 0.45137 2.97398
71 4DQ2 BTX 0.02249 0.44419 3.04878
72 2FUE M1P 0.01336 0.42301 3.05344
73 1ZGA SAH 0.005357 0.45975 3.08123
74 1ZGA HMK 0.02794 0.41716 3.08123
75 4BT5 23B 0.01932 0.42325 3.11284
76 1E7S NAP 0.02483 0.4444 3.11526
77 4A6D SAM 0.004477 0.47098 3.11615
78 3OZG SSI 0.03513 0.41609 3.2
79 1GAF NPE 0.0004183 0.53561 3.22581
80 2H6T IVA VAL VAL STA ALA STA 0.00496 0.46471 3.23529
81 2G36 TRP 0.01563 0.42156 3.23529
82 1VR0 3SL 0.001871 0.47675 3.23887
83 3HZL 6PC 0.02016 0.40176 3.27456
84 3E4O SIN 0.01654 0.41865 3.27869
85 4PLG OXM 0.03587 0.43996 3.29341
86 4PLG NAI 0.03587 0.43996 3.29341
87 1FDJ 13P 0.01671 0.42002 3.30579
88 1FDJ 2FP 0.03129 0.41515 3.30579
89 1FDJ G3P 0.00127 0.41178 3.30579
90 4AMV F6R 0.03002 0.4202 3.34448
91 2CSN CKI 0.02918 0.43268 3.367
92 4KQI NIO 0.04465 0.42961 3.37079
93 4KQI RBZ 0.04465 0.42961 3.37079
94 2EFJ 37T 0.001776 0.47563 3.38542
95 2EFJ SAH 0.007657 0.45525 3.38542
96 1QB7 ADE 0.001914 0.47954 3.38983
97 3IL6 B83 0.01164 0.44972 3.42679
98 3VHZ SOG 0.006243 0.5031 3.43511
99 2Q8H TF4 0.0008841 0.4018 3.4398
100 1DLJ NAI 0.003963 0.50896 3.48259
101 1DLJ UGA 0.003963 0.50896 3.48259
102 1OLS TDP 0.02662 0.45422 3.5
103 2HEK GDP 0.0423 0.40537 3.50404
104 4HZD COA 0.009004 0.47543 3.5461
105 3JDW ORN 0.04534 0.41002 3.5461
106 1BGQ RDC 0.002645 0.49355 3.55556
107 1J5P NAD 0.004342 0.48344 3.55731
108 4DXJ 0M9 0.00644 0.44962 3.59116
109 4DXJ IPE 0.01431 0.4292 3.59116
110 1JUV NDP 0.02764 0.43573 3.62694
111 4PL7 ATP 0.002228 0.50244 3.63636
112 4I71 AGV 0.008768 0.45277 3.63636
113 4CKL SM8 0.04105 0.42027 3.65112
114 2HW1 FRU 0.01027 0.43149 3.69128
115 1QF5 RPL 0.01304 0.47361 3.7123
116 1QF5 GDP 0.01304 0.47361 3.7123
117 1C7R PA5 0.01088 0.43869 3.82022
118 3N5O GSH 0.03159 0.42115 3.82979
119 3ACC 5GP 0.02121 0.41896 3.8674
120 1R27 MGD 0.01402 0.46257 3.90625
121 1B8U OAA 0.005207 0.48664 3.95137
122 1B8U NAD 0.02936 0.42685 3.95137
123 1WTC ACP 0.008555 0.4302 4.02477
124 1T26 GBD 0.03481 0.47149 4.03727
125 1T26 NAI 0.03481 0.47149 4.03727
126 1TOI HCI 0.0142 0.4549 4.0404
127 3L1N PLM 0.04093 0.4163 4.12371
128 1C1E ENH 0.0009154 0.53133 4.16667
129 2W3L DRO 0.0001079 0.52543 4.16667
130 3IHB GLU 0.02679 0.40231 4.16667
131 1QS0 TDP 0.004027 0.47622 4.1769
132 4N7U 2JA 0.01389 0.41156 4.21053
133 1V2G OCA 0.0434 0.40718 4.21053
134 4TMK T5A 0.0136 0.46059 4.22535
135 2AZ3 CDP 0.02419 0.41359 4.26829
136 2XUM OGA 0.004489 0.44726 4.29799
137 3Q9T FAY 0.009857 0.47517 4.33276
138 3BL6 FMC 0.01058 0.45125 4.34783
139 4BMO FMN 0.03373 0.43026 4.34783
140 8CAT NDP 0.03125 0.42397 4.34783
141 2PFC PLM 0.03554 0.41193 4.37158
142 1TRD PGH 0.02582 0.41976 4.4
143 3UCJ AZM 0.03027 0.41305 4.40529
144 3WJP ANP 0.03702 0.41866 4.43787
145 1Z44 NPO 0.006892 0.40397 4.43787
146 3WO0 ADP 0.04812 0.4316 4.46809
147 3WO0 ALA 0.04812 0.4316 4.46809
148 1KC7 PPR 0.007188 0.43387 4.51505
149 1H9G COA MYR 0.00108 0.51928 4.52675
150 4KSY 1SY 0.03912 0.40529 4.54545
151 1VJT NAD 0.04625 0.41334 4.55487
152 3WBF NAP 0.04048 0.42702 4.59016
153 4PHU 2YB 0.00377 0.43004 4.68432
154 4RNX FMN 0.003417 0.47939 4.75
155 5FIT AP2 0.01957 0.42559 4.7619
156 4AQL TXC 0.02292 0.42806 4.83193
157 4QN7 G39 0.02567 0.44693 4.87179
158 2NW9 FT6 0.002576 0.46439 4.90196
159 4C1K PEP 0.03219 0.40573 4.96183
160 1YOE RIB 0.04224 0.40158 4.96894
161 1WUR 8DG 0.0002812 0.54377 5
162 3ZS7 ATP 0.00715 0.46515 5
163 1NX4 AKG 0.007548 0.43845 5.01672
164 1JGS SAL 0.003528 0.41721 5.07246
165 3TA2 AKG 0.0003575 0.54918 5.08475
166 3TA2 ATP 0.01478 0.45971 5.08475
167 2D37 NAD 0.01881 0.44653 5.11364
168 3WCS MAN NAG 0.01542 0.42235 5.11811
169 3WCS MAN NAG GAL 0.03983 0.40426 5.11811
170 2YCJ C2F 0.0165 0.43141 5.16605
171 2HCR AMP 0.04698 0.40213 5.21472
172 4R33 TRP 0.01457 0.45985 5.2381
173 4R33 SAH 0.01457 0.45985 5.2381
174 2YC5 6BC 0.001487 0.51871 5.26316
175 4G1V FAD 0.02248 0.44271 5.26316
176 3P0K FAD 0.04133 0.41895 5.26316
177 1T57 FMN 0.005979 0.46748 5.33981
178 2QIA U20 0.03415 0.45437 5.34351
179 3H22 B53 0.006421 0.45017 5.38721
180 4LNL 2BO 0.003205 0.47285 5.40541
181 4LNL 2BK 0.003205 0.47285 5.40541
182 1RYH GNP 0.02899 0.43975 5.41872
183 1F74 NAY 0.02932 0.42047 5.46075
184 1V1A KDG 0.01847 0.43984 5.50162
185 2DUA OXL 0.04079 0.41908 5.51724
186 2QDT I38 0.04089 0.41085 5.57621
187 2XK9 XK9 0.006359 0.48314 5.59006
188 4N4J HG1 0.004976 0.49621 5.6
189 1IUP ALQ 0.02008 0.44691 5.67376
190 1QJC PNS 0.006582 0.49656 5.6962
191 4KCF AKM 0.003191 0.48478 5.72687
192 1U7Z PMT 0.04569 0.42943 5.75221
193 1M1B SPV 0.01435 0.42345 5.76271
194 2YGN PCF 0.002117 0.50284 5.76923
195 4IS0 GDS 0.003886 0.47365 5.80913
196 2R00 OEG 0.004672 0.44218 5.95238
197 1GSA GSH 0.007414 0.45983 6.01266
198 2BNE U5P 0.02956 0.44424 6.22407
199 1FIQ MTE 0.007233 0.47274 6.39269
200 1FIQ SAL 0.007975 0.47274 6.39269
201 1FIQ FAD 0.0208 0.45244 6.39269
202 1R5A GTS 0.02634 0.41405 6.42202
203 1RQH PYR 0.03021 0.40078 6.49351
204 3UIE ADX 0.01449 0.43667 6.5
205 3UIE ANP 0.01284 0.43448 6.5
206 2PT9 S4M 0.002299 0.49725 6.54206
207 2PT9 2MH 0.003544 0.49725 6.54206
208 1R18 SAH 0.03746 0.42157 6.60793
209 1R0X ATP 0.02573 0.44606 6.64336
210 3ELW GP3 0.04011 0.4112 6.66667
211 2XVE FAD 0.03876 0.45543 6.68103
212 4NES UDP 0.04021 0.41314 6.68449
213 3ANK NG6 GCD 0.02782 0.41566 6.78392
214 1CL2 PPG 0.03728 0.42172 6.83544
215 4O1M NAD 0.01621 0.45358 6.98413
216 1FP1 HCC 0.003993 0.47455 6.98925
217 1FP1 SAH 0.01457 0.4363 6.98925
218 3KJI ADP 0.01632 0.43523 7.08661
219 1XVV CCQ 0.00818 0.48068 7.10784
220 2DTX BMA 0.02074 0.45624 7.19697
221 2H6B 3C4 0.04499 0.42215 7.2
222 1I7Z COC 0.008267 0.47692 7.27273
223 1A4K FRA 0.04082 0.41166 7.30594
224 3FED BIX 0.01108 0.44575 7.35786
225 1VDC FAD 0.02389 0.45974 7.50751
226 1VPO TES 0.01552 0.44659 7.69231
227 1PFK ADP 0.0002801 0.53408 7.8125
228 1FL3 SPB 0.01813 0.45099 7.94393
229 3DUR KDO 0.006612 0.46292 8.03571
230 3PNL ADP 0.01428 0.447 8.05687
231 1I7L ATP 0.001745 0.49952 8.09062
232 3QQA TCH 0.0008392 0.51625 8.33333
233 2CW6 3HG 0.0152 0.40949 8.38926
234 2C31 TZD 0.03048 0.46642 8.4507
235 2C31 ADP 0.0299 0.46642 8.4507
236 1MVN PCO 0.04841 0.44714 8.61244
237 2ALG DAO 0.007528 0.46176 8.69565
238 2ALG HP6 0.007528 0.46176 8.69565
239 2HVW DCP 0.04078 0.41167 8.69565
240 2W1A TSA 0.02247 0.41995 8.88889
241 2VKL MLT 0.002291 0.40457 8.88889
242 1YFZ IMP 0.009303 0.43526 9.26829
243 2Q97 ATP 0.01882 0.43986 9.30233
244 3MCT 3MC 0.01202 0.43056 9.42761
245 3MCT SAH 0.04943 0.41597 9.42761
246 4E1N TQX 0.003375 0.48491 9.63855
247 3RKR NAP 0.006878 0.44988 9.92366
248 3RGG AIR 0.02906 0.41485 10.0629
249 1M5B BN1 0.02224 0.46726 10.2662
250 2AMV BIN 0.01488 0.4732 10.3679
251 1X1T NAD 0.033 0.46342 10.3846
252 1D6V HOP 0.007656 0.42221 10.4072
253 1FMB HYB 0.04706 0.40512 10.5769
254 2V5E SCR 0.003884 0.40274 10.8911
255 5YAS FAC 0.004576 0.4606 10.8949
256 1BTN I3P 0.01397 0.40397 11.3208
257 1T8U UAP SGN IDS SGN 0.004129 0.49623 11.3971
258 1T8U A3P 0.002272 0.48821 11.3971
259 4OK9 HIS 0.01892 0.43289 11.4094
260 1KHT AMP 0.005224 0.45431 11.9792
261 2WCV FUC 0.002048 0.47341 12.1429
262 1UWZ THU 0.03142 0.4179 12.5
263 1YGC 905 0.03894 0.41754 12.6984
264 1V2X SAM 0.03854 0.42062 12.8866
265 3E6J DR2 0.0006115 0.49919 13.5371
266 1UZN NAP 0.01161 0.44392 13.7652
267 3BLI ACO 0.0294 0.42993 14.2433
268 5E65 5N6 GAL 0.04709 0.40862 14.4578
269 4DVE BTN 0.009015 0.44098 15.6566
270 2WOR 2AN 0.0304 0.40466 16
271 3LZW NAP 0.01024 0.4896 16.8675
272 3LZW FAD 0.006182 0.48523 16.8675
273 2J7T 274 0.002243 0.50372 17.2185
274 1TU3 GNP 0.008219 0.46493 17.7215
275 1NN5 ANP 0.01881 0.4497 18.1395
276 1NN5 2DT 0.01881 0.4497 18.1395
277 4NPT 017 0.04259 0.40704 18.1818
278 3CFD SPB 0.007713 0.45519 22.2727
279 4UBP HAE 0.03625 0.42231 22.7723
280 1F7L COA 0.01792 0.45526 23.1405
281 2GJ3 FAD 0.02622 0.42826 23.3333
282 1NHK CMP 0.013 0.45911 24.3056
283 35C8 NOX 0.002848 0.44158 25.8065
284 4GYW UDP 0.01704 0.4534 35.7143
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