-->
Receptor
PDB id Resolution Class Description Source Keywords
4MZU 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FDTD, A BIFUNCTIONAL KETOISOMERASE/N- ACETYLTRANSFERASE FROM SHEWANELLA DENITRIFICANS SHEWANELLA DENITRIFICANS BETA-HELIX CUPIN KETOISOMERASE N-ACETYLTRANSFERASE ACETYCOENZYME A DTDP-FUC3N DTDP-4-KETO-6-DEOXYGLUCOSE ISOMERATRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF A BIFUNCTIONAL KETOISOMERASE/N-ACETYLTRANSFERASE FROM SHEWANELLA DENITRIFICANS. BIOCHEMISTRY V. 52 8374 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TDR J:403;
F:403;
A:403;
K:403;
L:403;
C:403;
E:403;
D:403;
B:403;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
126.113 C5 H6 N2 O2 CC1=C...
COA I:401;
C:401;
L:401;
G:401;
B:401;
E:401;
F:401;
G:403;
K:401;
A:401;
D:401;
J:401;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
TYD I:402;
H:401;
J:402;
F:402;
A:402;
E:402;
L:402;
K:402;
G:402;
B:402;
D:402;
C:402;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
402.188 C10 H16 N2 O11 P2 CC1=C...
MG J:404;
G:404;
C:404;
B:404;
D:404;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MZU 2.2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF FDTD, A BIFUNCTIONAL KETOISOMERASE/N- ACETYLTRANSFERASE FROM SHEWANELLA DENITRIFICANS SHEWANELLA DENITRIFICANS BETA-HELIX CUPIN KETOISOMERASE N-ACETYLTRANSFERASE ACETYCOENZYME A DTDP-FUC3N DTDP-4-KETO-6-DEOXYGLUCOSE ISOMERATRANSFERASE
Ref.: STRUCTURAL AND BIOCHEMICAL CHARACTERIZATION OF A BIFUNCTIONAL KETOISOMERASE/N-ACETYLTRANSFERASE FROM SHEWANELLA DENITRIFICANS. BIOCHEMISTRY V. 52 8374 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4MZU - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4MZU - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4MZU - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TDR; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 TDR 1 1
2 IUR 0.483871 0.860465
3 URF 0.451613 0.860465
4 WBU 0.451613 0.840909
5 5UC 0.4375 0.860465
6 FYU 0.4 0.95
Ligand no: 2; Ligand: COA; Similar ligands found: 211
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 AMX 0.871795 0.988235
7 30N 0.871795 0.913979
8 CAO 0.871795 0.965909
9 CMX 0.864407 0.976744
10 SCO 0.864407 0.976744
11 ACO 0.857143 0.965909
12 FCX 0.857143 0.94382
13 FAM 0.857143 0.954545
14 HAX 0.85 0.954545
15 3KK 0.842975 0.977012
16 FYN 0.842975 1
17 SOP 0.836066 0.977012
18 MCD 0.836066 0.954545
19 OXK 0.836066 0.977012
20 CA6 0.836066 0.885417
21 COK 0.836066 0.977012
22 CO6 0.829268 0.977012
23 NMX 0.829268 0.903226
24 1VU 0.829268 0.965909
25 CMC 0.829268 0.977012
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 A1S 0.816 0.977012
31 3HC 0.816 0.988372
32 IVC 0.816 0.988372
33 1HE 0.816 0.955056
34 MLC 0.816 0.977012
35 BCO 0.816 0.977012
36 COD 0.810345 0.988235
37 COO 0.809524 0.977012
38 MCA 0.809524 0.965909
39 CAA 0.809524 0.988372
40 YE1 0.809524 0.965517
41 MC4 0.80315 0.923913
42 SCA 0.80315 0.977012
43 CA8 0.796875 0.885417
44 COF 0.796875 0.955056
45 BYC 0.796875 0.977012
46 COW 0.796875 0.965909
47 3CP 0.796875 0.977012
48 IRC 0.796875 0.988372
49 1GZ 0.796875 0.965909
50 HGG 0.796875 0.977012
51 2KQ 0.796875 0.955056
52 BCA 0.790698 0.965909
53 4CA 0.790698 0.965909
54 FAQ 0.790698 0.977012
55 HXC 0.784615 0.955056
56 GRA 0.784615 0.977012
57 1CV 0.781955 0.977012
58 TGC 0.778626 0.965909
59 2NE 0.772727 0.955056
60 1CZ 0.772727 0.965909
61 CO8 0.772727 0.955056
62 S0N 0.772727 0.954545
63 CIC 0.772727 0.977012
64 DCC 0.766917 0.955056
65 UCC 0.766917 0.955056
66 0FQ 0.766917 0.977012
67 MYA 0.766917 0.955056
68 ST9 0.766917 0.955056
69 4CO 0.766917 0.965909
70 5F9 0.766917 0.955056
71 MFK 0.766917 0.955056
72 01A 0.761194 0.934066
73 0ET 0.761194 0.955056
74 WCA 0.755556 0.955056
75 CS8 0.755556 0.944444
76 UOQ 0.75 0.955056
77 NHW 0.75 0.955056
78 NHM 0.75 0.955056
79 4KX 0.75 0.944444
80 HDC 0.75 0.955056
81 MRR 0.744526 0.955056
82 MRS 0.744526 0.955056
83 HFQ 0.744526 0.955056
84 YNC 0.73913 0.965909
85 DAK 0.73913 0.944444
86 8Z2 0.733813 0.944444
87 NHQ 0.723404 0.988372
88 F8G 0.715278 0.913979
89 1HA 0.713287 0.955056
90 01K 0.708333 0.977012
91 COT 0.703448 0.977012
92 CCQ 0.695652 0.934066
93 CA3 0.693878 0.977012
94 7L1 0.692308 0.965909
95 CA5 0.671053 0.934066
96 UCA 0.666667 0.955056
97 93P 0.666667 0.965909
98 CO7 0.664234 0.977012
99 93M 0.64557 0.965909
100 OXT 0.634146 0.913979
101 5TW 0.607143 0.913979
102 4BN 0.607143 0.913979
103 PAP 0.603604 0.811765
104 JBT 0.598837 0.894737
105 BSJ 0.592814 0.944444
106 HMG 0.581081 0.943182
107 COA PLM 0.573333 0.922222
108 PLM COA 0.573333 0.922222
109 A3P 0.54955 0.8
110 PPS 0.547009 0.752688
111 ASP ASP ASP ILE CMC NH2 0.536585 0.932584
112 0WD 0.521739 0.788889
113 SFC 0.490683 0.955056
114 RFC 0.490683 0.955056
115 191 0.490196 0.865979
116 ACE SER ASP ALY THR NH2 COA 0.483333 0.932584
117 3AM 0.482143 0.788235
118 PTJ 0.48062 0.872093
119 4PS 0.477477 0.682353
120 A22 0.468254 0.813953
121 A2D 0.465517 0.802326
122 PUA 0.462585 0.820225
123 PAJ 0.460938 0.883721
124 ATR 0.459016 0.8
125 SAP 0.459016 0.806818
126 AGS 0.459016 0.806818
127 3OD 0.458015 0.825581
128 ADP 0.453782 0.823529
129 A2R 0.448819 0.813953
130 BA3 0.445378 0.802326
131 OAD 0.442748 0.825581
132 NA7 0.442748 0.858824
133 ATP 0.442623 0.823529
134 HEJ 0.442623 0.823529
135 AP5 0.441667 0.802326
136 B4P 0.441667 0.802326
137 AR6 0.439024 0.802326
138 APR 0.439024 0.802326
139 2A5 0.439024 0.847059
140 5FA 0.439024 0.823529
141 AQP 0.439024 0.823529
142 AN2 0.438017 0.813953
143 AT4 0.438017 0.816092
144 48N 0.435714 0.808989
145 M33 0.434426 0.813953
146 9X8 0.431818 0.806818
147 SRP 0.429688 0.837209
148 ANP 0.428571 0.804598
149 ADQ 0.427481 0.804598
150 YLB 0.426573 0.908046
151 YLP 0.425532 0.886364
152 5AL 0.425197 0.813953
153 7D3 0.425 0.793103
154 AD9 0.424 0.804598
155 APU 0.423611 0.786517
156 7D4 0.422764 0.793103
157 CA0 0.422764 0.804598
158 25L 0.422222 0.813953
159 ATF 0.421875 0.795455
160 F2R 0.421769 0.865169
161 NJP 0.421769 0.806818
162 A2P 0.421488 0.788235
163 A A A 0.421053 0.813953
164 8QN 0.419847 0.813953
165 PNS 0.419643 0.682353
166 ACP 0.419355 0.825581
167 NDP 0.417808 0.788889
168 ACQ 0.417323 0.825581
169 A1R 0.416667 0.882353
170 ATP A A A 0.416058 0.770115
171 A 0.415254 0.8
172 AMP 0.415254 0.8
173 1ZZ 0.414815 0.842697
174 NB8 0.414815 0.808989
175 TXA 0.414815 0.816092
176 FYA 0.414815 0.813953
177 DLL 0.413534 0.793103
178 00A 0.413534 0.758242
179 AHX 0.413534 0.829545
180 PAX 0.412903 0.793478
181 DQV 0.411348 0.813953
182 OMR 0.409722 0.853933
183 9ZD 0.409091 0.818182
184 25A 0.409091 0.802326
185 OOB 0.409091 0.793103
186 9ZA 0.409091 0.818182
187 NPW 0.408163 0.822222
188 6YZ 0.407692 0.825581
189 A A 0.407407 0.781609
190 WAQ 0.407407 0.860465
191 TAT 0.40625 0.816092
192 T99 0.40625 0.816092
193 AMO 0.406015 0.837209
194 4AD 0.406015 0.827586
195 A3R 0.406015 0.882353
196 FA5 0.405797 0.816092
197 YAP 0.405797 0.806818
198 B5Y 0.405797 0.786517
199 TXP 0.405405 0.829545
200 ABM 0.404959 0.781609
201 PRX 0.404762 0.825581
202 ME8 0.404412 0.842697
203 BIS 0.404412 0.818182
204 AFH 0.404255 0.78022
205 J7V 0.403846 0.778947
206 NAI 0.402778 0.777778
207 ODP 0.402685 0.78022
208 DAL AMP 0.401515 0.793103
209 AU1 0.4 0.804598
210 ADX 0.4 0.752688
211 SRA 0.4 0.784091
Ligand no: 3; Ligand: TYD; Similar ligands found: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 TYD 1 1
2 TTP 0.884058 1
3 TMP 0.80597 0.985714
4 TLO 0.716049 0.945205
5 DAU 0.694118 0.932432
6 1JB 0.682353 0.932432
7 TRH 0.682353 0.932432
8 3R2 0.682353 0.92
9 18T 0.682353 0.932432
10 TDX 0.682353 0.945205
11 ATY 0.670886 0.945205
12 3YN 0.666667 0.932432
13 DWN 0.666667 0.907895
14 T3Q 0.666667 0.907895
15 T3F 0.666667 0.907895
16 TBD 0.662338 0.958904
17 T46 0.659091 0.932432
18 0N2 0.659091 0.896104
19 AZD 0.654321 0.907895
20 MMF 0.651685 0.907895
21 0FX 0.651685 0.907895
22 THM 0.641791 0.873239
23 LLT 0.641791 0.873239
24 QDM 0.637363 0.896104
25 JHZ 0.630435 0.884615
26 1YF 0.630435 0.92
27 AKM 0.630435 0.886076
28 FNF 0.630435 0.92
29 4TG 0.623656 0.92
30 DT DT DT 0.616279 0.917808
31 DUD 0.61039 0.957143
32 UFP 0.6 0.905405
33 0DN 0.6 0.833333
34 DT DT DT DT DT 0.582418 0.945205
35 QUH 0.58 0.907895
36 FUH 0.58 0.907895
37 T5A 0.572816 0.841463
38 BRU 0.571429 0.905405
39 5HU 0.571429 0.971831
40 DT DT PST 0.569892 0.87013
41 FDM 0.564103 0.918919
42 5IU 0.564103 0.905405
43 NYM 0.564103 0.958333
44 T3P 0.56 0.943662
45 THP 0.556962 0.971429
46 D3T 0.542169 0.971831
47 DUT 0.542169 0.957143
48 ATM 0.542169 0.894737
49 TXS 0.538462 0.789474
50 YYY 0.536585 0.891892
51 T3S 0.525 0.789474
52 BVP 0.52381 0.944444
53 ABT 0.521739 0.884615
54 D4D 0.506024 0.928571
55 7SG 0.504274 0.864198
56 TQP 0.504274 0.864198
57 T5K 0.5 0.853659
58 2DT 0.5 0.957747
59 TPE 0.5 0.894737
60 T4K 0.5 0.853659
61 DT ME6 DT 0.5 0.87013
62 4TA 0.486486 0.807229
63 DCP 0.477273 0.891892
64 8DD 0.473118 0.8125
65 AZZ 0.469136 0.779221
66 DU 0.469136 0.942857
67 UMP 0.469136 0.942857
68 8GD 0.467391 0.829268
69 WMJ 0.452632 0.761905
70 DUP 0.449438 0.930556
71 D4T 0.449438 0.928571
72 6U4 0.447917 0.848101
73 ADS THS THS THS 0.444444 0.758621
74 DDN 0.439024 0.942857
75 3DT 0.428571 0.835616
76 UC5 0.425287 0.943662
77 ID2 0.423077 0.8
78 DT MA7 DT 0.420635 0.797619
79 8DG 0.418367 0.829268
80 DUN 0.41573 0.930556
81 5GW 0.410526 0.878378
82 DCM 0.406977 0.878378
83 DC 0.406977 0.878378
84 DT DC 0.405405 0.833333
85 74W 0.4 0.732558
86 74X 0.4 0.732558
87 D4M 0.4 0.914286
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 23
This union binding pocket(no: 1) in the query (biounit: 4mzu.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4PSB GA3 None
2 3OZ2 OZ2 1.60256
3 4CLI 5P8 1.60256
4 1LOR BMP 2.19298
5 4Y24 TD2 2.5974
6 5ZM4 AKG 2.61438
7 5ZM4 9FU 2.61438
8 2X34 UQ8 2.76243
9 1OI6 TMP 2.92683
10 5L53 NAP 3.52564
11 6D1U MAL 4.48718
12 1DZT TPE 4.91803
13 1DZT ATY 4.91803
14 2A4W BLM 5.07246
15 5ML3 DL3 5.36913
16 4E5N NAD 5.44872
17 3LOO B4P 5.44872
18 2X32 OTP 6.14525
19 2IXC TRH 6.43564
20 4HN1 TYD 12.5
21 5Y72 DST 12.8358
22 5FLJ QUE 12.9032
23 1NYW DAU 18.2741
Pocket No.: 2; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 13
This union binding pocket(no: 2) in the query (biounit: 4mzu.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 3JYR ACR 1.28205
2 5TTD MLR 1.28205
3 3O3U MLR 1.28205
4 5CFV MAL 1.28205
5 4IRL MTT 1.28205
6 2VGQ MTT 1.28205
7 4OJ8 AKG 3.07167
8 5UMY TNN 3.57143
9 4XR8 MAL 4.0201
10 3HST MLR 4.96454
11 6CMJ F6J 10.2564
12 3LIH RAF 12.1795
13 1FDQ HXA 12.9771
Pocket No.: 3; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 25
This union binding pocket(no: 3) in the query (biounit: 4mzu.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2CUN 3PG 2.5641
2 5HSA FAS 3.52564
3 5NXX 3Q7 4.47761
4 2JEN GLC GLC XYS XYS 4.5977
5 4M5P MLA 4.80769
6 2VHW NAI 5.44872
7 1Y2F WAI 6.47482
8 3FSY SCA 7.05128
9 1BZL FAD 7.05128
10 5E3Q SCA 7.28477
11 2WLG SOP 12.5581
12 1KGQ SCO 17.8832
13 1SSQ CYS 17.9775
14 4HZD COA 19.8582
15 6GE9 ACO 19.8718
16 4AAW R84 20.8333
17 1HV9 COA 22.4359
18 5DEP UD1 23.6434
19 4EA7 COA 25.4545
20 4EA7 JB2 25.4545
21 1KRR ACO 29.064
22 5T2Y 753 30.8081
23 3TWD GOB 31.5315
24 3VBK COA 32.1951
25 3VBK 0FX 32.1951
Pocket No.: 4; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 7
This union binding pocket(no: 4) in the query (biounit: 4mzu.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 3OCP CMP 3.59712
2 1YRO UDP 4.1958
3 1FEC FAD 8.33333
4 6H3O FAD 16.6667
5 1KGQ NPI 17.8832
6 2IU8 PLM 23.0769
7 3I3X U22 23.5521
Pocket No.: 5; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 23
This union binding pocket(no: 5) in the query (biounit: 4mzu.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 3DER ALA LYS 0.641026
2 5T8O 76Z 1.28205
3 2WPB ZZI 1.31579
4 4UUG PXG 1.60256
5 4U03 TLL 1.92308
6 6CI9 NAP 1.9305
7 4P5E N6P 2.63158
8 3DXW ICC 2.88462
9 6BE3 NAG 4.14747
10 4O1F THG 4.48276
11 4BR5 ANP 4.48718
12 1BW9 NAD 4.48718
13 5ZB0 TYD 4.54545
14 5ZB0 ADP 4.54545
15 1ZPT FAD 4.60526
16 4GFD 0YB 5.36585
17 1LRI CLR 10.2041
18 4TMK T5A 10.7981
19 3UXM 0DN 11.8483
20 2PR5 FMN 12.8788
21 5DEP UD1 23.6434
22 3VBK 0FX 32.1951
23 3VBK COA 32.1951
Pocket No.: 6; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 10
This union binding pocket(no: 6) in the query (biounit: 4mzu.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 5DFM MAL 1.28205
2 1ZB6 GST 1.9544
3 1ZB6 DIN 1.9544
4 4USF 6UI 1.97368
5 4QVH MAL 2.24359
6 4XF6 ADP 3.2967
7 2AG4 LP3 4.87805
8 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 6.06061
9 3AGC RCC 7.24638
10 2GC0 PAN 12.234
Pocket No.: 7; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 4
This union binding pocket(no: 7) in the query (biounit: 4mzu.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5GLT BGC GAL NAG GAL 4.22535
2 3PCJ INO 5.46218
3 5LWY OLB 9.2437
4 1J2Z SOG 18.8889
Pocket No.: 8; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 12
This union binding pocket(no: 8) in the query (biounit: 4mzu.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5K3W PLP 2.24359
2 2JFN GLU 2.45614
3 2PI8 NAG NAG NAG NAG NAG NAG 3.84615
4 3NVD OAN 3.84615
5 1YRO UDP 4.1958
6 3LAD FAD 5.44872
7 5CC2 CKA 6.03774
8 5OCS FMN 6.73077
9 3C0G 3AM 8.01282
10 2EXK XYS XYS 11.5385
11 5MZY 8EZ 12.0755
12 1KRR ACO 29.064
Pocket No.: 9; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 44
This union binding pocket(no: 9) in the query (biounit: 4mzu.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4V24 GYR 1.60256
2 5U98 1KX 1.80505
3 1LN1 DLP 1.86916
4 1UNB PN1 1.92926
5 1UNB AKG 1.92926
6 4P7X YCP 2.05479
7 4P7X AKG 2.05479
8 1YKD CMP 2.24359
9 1T27 PCW 2.58303
10 5N87 N66 2.88462
11 2F3R G5P 2.89855
12 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 2.9304
13 2WA4 069 3.20513
14 5UR1 YY9 3.21543
15 6GR0 F8W 4.02299
16 1QKQ MAN 4.22535
17 1G4U GDP 4.34783
18 3WUD GLC GAL 4.41176
19 1HE1 GDP 4.54545
20 5E2N V14 4.56274
21 5CJF 520 4.6595
22 1NMK SFM 4.84848
23 2E56 MYR 4.86111
24 4WW8 VD9 5.32319
25 5A65 TPP 5.52995
26 4L4V 1VY 5.91133
27 1E8G FAD 6.08974
28 1E8G FCR 6.08974
29 2QL9 CIT 6.35838
30 6A63 LAT 6.52174
31 3C3N FMN 7.05128
32 1QIN GIP 7.10383
33 2YMZ LAT 7.69231
34 1IIU RTL 8.04598
35 5OO5 UUA 8.06452
36 4QXB OGA 8.82353
37 1IND EOT 8.84956
38 3PFG SAM 11.0266
39 3PFG TLO 11.0266
40 3VMG 9CA 11.3043
41 4YGF AZM 12.8205
42 4C2V YJA 13.6364
43 5N0L ILE 13.8365
44 4CS4 ANP 15.3285
Pocket No.: 10; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 14
This union binding pocket(no: 10) in the query (biounit: 4mzu.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 3C4M MAL 1.28205
2 2QZZ EMF 2.5641
3 2QZZ NAP 2.5641
4 5AZA MAL 2.5641
5 3ETH ATP 2.5641
6 4XCB HY0 2.68199
7 3VPC ADP 2.83688
8 1ELU PDA 3.20513
9 1LRH NLA 4.90798
10 6BSX E7S 5.05618
11 3MPB FRU 6.50407
12 5K21 6QF 7.80142
13 5LOF MAL 14.1026
14 3H86 AP5 22.3958
Pocket No.: 11; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 26
This union binding pocket(no: 11) in the query (biounit: 4mzu.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 1NL5 MAL 1.28205
2 4J36 1HR 1.60256
3 3TUT ATP 1.92308
4 4FHD 0TT 1.92308
5 4FHD EEM 1.92308
6 4ZSD 7I6 2.43902
7 2YFT DQR 2.5641
8 3WW2 SF6 2.73438
9 1SQI 869 2.88462
10 1HKU NAD 2.88462
11 2OM2 GDP 3.20513
12 3E8N ATP 3.52564
13 3E8N VRA 3.52564
14 5II5 MAL 3.84615
15 5DG2 GAL GLC 4.44444
16 3ZDS HMQ 4.48718
17 3ZDS OMD 4.48718
18 2Y6Q I7T 5.12821
19 4L4J NAG NAG BMA MAN NAG 5.42986
20 5CJ3 52G 6.66667
21 5X7Q BGC 7.05128
22 3ORF NAD 7.96813
23 4OYA 1VE 8.33333
24 1TFZ 869 11.5385
25 6BYM HC3 14.7783
26 3E2M E2M 18.3784
Pocket No.: 12; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 1
This union binding pocket(no: 12) in the query (biounit: 4mzu.bio2) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1U1J MET 5.76923
Pocket No.: 13; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 3
This union binding pocket(no: 13) in the query (biounit: 4mzu.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 1SQL GUN 4.79452
2 1WOQ BGC 6.36704
3 3KIF GDL 9.43396
Pocket No.: 14; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4mzu.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 8
This union binding pocket(no: 15) in the query (biounit: 4mzu.bio2) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 5A86 D7E 1.92308
2 2X5W K2B 2.24359
3 1X1T NAD 2.69231
4 1QFY NAP 3.8961
5 1QFY FAD 3.8961
6 4XTX 590 4.81482
7 2Y31 SMQ 5.61798
8 4IXH IMP 14.4231
Pocket No.: 16; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 3
This union binding pocket(no: 16) in the query (biounit: 4mzu.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 1UDY CS8 5.44872
2 2OEG UPG 6.08974
3 1P19 IMP 10.4072
Pocket No.: 17; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 4mzu.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 37
This union binding pocket(no: 18) in the query (biounit: 4mzu.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1D1T NAD 1.60256
2 4M51 BEZ 1.92308
3 1UM0 FMN 1.92308
4 6FCX FAD 2.24359
5 2YQS UD1 2.5641
6 1JQI FAD 2.88462
7 2YC5 6BC 3.07018
8 3F10 8HG 3.08219
9 1JV1 UD1 3.20513
10 3EXH TPP 3.20513
11 3A7R LAQ 3.20513
12 3FV3 IVA VAL VAL STA ALA STA 3.20513
13 2A92 NAI 3.20513
14 3BJK CIT 3.26797
15 2Q3R FMN 3.52564
16 4MG8 27J 3.52941
17 1YZX GSF 3.53982
18 6F90 MVL 3.84615
19 6A5K SAM 4.16667
20 2OZL TPP 4.39883
21 4K81 GTP 4.67836
22 4UTW RFW 4.80349
23 4ZGS NAD 4.80769
24 1JQ3 AAT 5.40541
25 2UZI GTP 5.76923
26 6FNU FAD 5.84416
27 3FS1 MYR 7.82609
28 6D5M GNP 8.65385
29 6D5H GNP 8.65385
30 6D5L GNP 8.65385
31 6D5E GNP 8.65385
32 6D56 GNP 8.65385
33 6D5G GNP 8.65385
34 6D5J GNP 8.65385
35 6D55 GNP 8.65385
36 4IXH Q21 14.4231
37 3I3X U22 23.5521
Pocket No.: 19; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 25
This union binding pocket(no: 19) in the query (biounit: 4mzu.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1NBU PH2 2.52101
2 1KDK DHT 2.82486
3 1DIG L37 3.26797
4 1DIG NAP 3.26797
5 6G33 5ID 3.52564
6 1SJN DUP 3.52941
7 2FZW NAD 3.84615
8 5MKG C2E 3.93701
9 5KZD RCJ 4.09556
10 4AU8 Z3R 4.16667
11 4ZRB COA 4.37956
12 5Z54 0HZ 4.40529
13 4QAC KK3 5.06912
14 4G6I RS3 5.71429
15 4TWP AXI 6.64207
16 3MKN DNB 7.05128
17 5T2Z 017 7.07071
18 1PZO CBT 7.22433
19 4KXL 6C6 7.23684
20 1PZL MYR 7.59494
21 3GGU 017 8.08081
22 2QIA U20 9.54198
23 3U7S 017 12.1212
24 5ZFJ 9BF 18.5022
25 1J2Z SOG 18.8889
Pocket No.: 20; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 2
This union binding pocket(no: 20) in the query (biounit: 4mzu.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z41 FMN 2.88462
2 5VRH OLC 3.20513
Pocket No.: 21; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 1
This union binding pocket(no: 21) in the query (biounit: 4mzu.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
1 1Z48 FMN 2.88462
Pocket No.: 22; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 14
This union binding pocket(no: 22) in the query (biounit: 4mzu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2PTM CMP 2.0202
2 4YNU LGC 2.24359
3 1TL2 NDG 2.54237
4 3SHR CMP 2.5641
5 5KBF CMP 2.65781
6 6EKZ SNP 2.88462
7 4Z1D PEP 3.98551
8 6ACS CIT 5.42636
9 1PWB GLC 7.34463
10 3PNA CMP 8.44156
11 4OFG PCG 9.02778
12 5E5U MLT 9.04523
13 1TMX BEZ 9.55631
14 5C8W PCG 10.4895
Pocket No.: 23; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 5
This union binding pocket(no: 23) in the query (biounit: 4mzu.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
1 1V1A ADP 3.55987
2 2E7F C2F 3.81679
3 2GDZ NAD 5.99251
4 5VOP C2F 6.08108
5 1WY7 SAH 13.0435
Pocket No.: 24; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 4mzu.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 25; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 2
This union binding pocket(no: 25) in the query (biounit: 4mzu.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4RGQ NDP 2.88462
2 3WDX BGC BGC GLC 5.03356
Pocket No.: 26; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 17
This union binding pocket(no: 26) in the query (biounit: 4mzu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6FE1 V14 1.55642
2 5UC4 83S 2.72727
3 1U0A BGC BGC BGC BGC 2.80374
4 3TYZ PAB 3.21429
5 3TYZ XHP 3.21429
6 1ST0 GTG 3.52564
7 6A8H AHR AHR AHR 3.84615
8 6D6L FY4 4.11765
9 1TT8 PHB 6.09756
10 3AMN CBI 7.54717
11 3AMN CBK 7.54717
12 4ZLU ADP 7.60626
13 4ZLU 4PW 7.60626
14 2VQ5 HBA 7.9602
15 3FSM 2NC 9.35961
16 3KA2 2NC 9.35961
17 2Z77 HE7 23.0216
Pocket No.: 27; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 5
This union binding pocket(no: 27) in the query (biounit: 4mzu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 4MP8 MLI 2.24359
2 4MP8 NAD 2.24359
3 2XMY CDK 2.68456
4 3L5R 47X 4.09836
5 1J3R 6PG 15.7895
Pocket No.: 28; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 8
This union binding pocket(no: 28) in the query (biounit: 4mzu.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 4DDY DN6 2.6616
2 4E3Q PMP 2.88462
3 2ZZV LAC 3.20513
4 2F7A CCU 3.87931
5 2BES RES 4.65116
6 5N6N SUC 4.80769
7 3QF7 ANP 10
8 2DT9 THR 20.9581
Pocket No.: 29; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 6
This union binding pocket(no: 29) in the query (biounit: 4mzu.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 4NW6 2NS 1.60256
2 5GWT SIN 2.51799
3 5GWT NAD 2.51799
4 5C5T AKG 2.63158
5 1ESM COA 3.84615
6 4BFW ZVW 9.61539
Pocket No.: 30; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 1
This union binding pocket(no: 30) in the query (biounit: 4mzu.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 5FQK 6NT 8.92193
Pocket No.: 31; Query (leader) PDB : 4MZU; Ligand: TDR; Similar sites found with APoc: 20
This union binding pocket(no: 31) in the query (biounit: 4mzu.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 4YZC STU 1.92308
2 1K3T BRZ 2.5641
3 5A89 ADP 2.5641
4 5A89 FMN 2.5641
5 3NYC IAR 2.5641
6 3NYC FAD 2.5641
7 2AMV BIN 3.20513
8 1QS8 IVA VAL VAL STA ALA STA 3.52564
9 2CSN CKI 3.7037
10 1LL2 UPG 3.84615
11 1Q19 APC 3.84615
12 6A1G 9OL 3.88889
13 5ZXD ATP 4.16667
14 5GMD AGS 4.16667
15 2PX6 DH9 4.43038
16 1UA4 AMP 4.80769
17 1EZ4 NAD 5.76923
18 5HQ0 LZ9 7.14286
19 4EES FMN 8.69565
20 3KN5 ANP 13.7821
Pocket No.: 32; Query (leader) PDB : 4MZU; Ligand: COA; Similar sites found with APoc: 5
This union binding pocket(no: 32) in the query (biounit: 4mzu.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2EUG URA 3.05677
2 2F2H XTG 3.84615
3 4LHD GLY 6.08974
4 2ZL4 ALA ALA ALA ALA 7.65306
5 3RGA LSB 10.5769
Pocket No.: 33; Query (leader) PDB : 4MZU; Ligand: TYD; Similar sites found with APoc: 10
This union binding pocket(no: 33) in the query (biounit: 4mzu.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 6GNO XDI None
2 1GP6 QUE 1.60256
3 5DRB 5FJ 1.71821
4 2XN2 GLA 2.5641
5 4IE6 UN9 3.52564
6 5GLT BGC GAL NAG GAL 4.22535
7 1Y0G 8PP 5.2356
8 2D6M LBT 10.6918
9 6E08 NAP 14.7436
10 5NLD LBT 15.1079
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