Receptor
PDB id Resolution Class Description Source Keywords
1I1D 1.8 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF YEAST GNA1 BOUND TO COA AND GLNAC-6P SACCHAROMYCES CEREVISIAE ALPHA/BETA DOMAIN SWAPPING GNAT CONSERVED CORE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURES OF APO AND COMPLEXED SACCHAROMYCES CEREVISIAE GNA1 SHED LIGHT ON THE CATALYTIC MECHANISM OF AN AMINO-SUGAR N-ACETYLTRANSFERASE. J.BIOL.CHEM. V. 276 16328 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
16G A:905;
B:906;
D:908;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
301.188 C8 H16 N O9 P CC(=O...
COA A:900;
B:901;
Valid;
Valid;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
IMD A:910;
Invalid;
none;
submit data
69.085 C3 H5 N2 c1c[n...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1I1D 1.8 Å EC: 2.3.1.4 CRYSTAL STRUCTURE OF YEAST GNA1 BOUND TO COA AND GLNAC-6P SACCHAROMYCES CEREVISIAE ALPHA/BETA DOMAIN SWAPPING GNAT CONSERVED CORE TRANSFERASE
Ref.: THE CRYSTAL STRUCTURES OF APO AND COMPLEXED SACCHAROMYCES CEREVISIAE GNA1 SHED LIGHT ON THE CATALYTIC MECHANISM OF AN AMINO-SUGAR N-ACETYLTRANSFERASE. J.BIOL.CHEM. V. 276 16328 2001
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1I1D - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1I12 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1I1D - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1I12 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1I1D - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1I12 - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 16G; Similar ligands found: 45
No: Ligand ECFP6 Tc MDL keys Tc
1 BMX 1 1
2 16G 1 1
3 4QY 1 1
4 NGS 0.611111 0.803279
5 NNG 0.603774 0.890909
6 NGA 0.591837 0.735849
7 NDG 0.591837 0.735849
8 NAG 0.591837 0.735849
9 BM3 0.591837 0.735849
10 A2G 0.591837 0.735849
11 HSQ 0.591837 0.735849
12 RP5 0.553191 0.685185
13 HSX 0.553191 0.685185
14 ABF 0.553191 0.685185
15 M6P 0.55102 0.75
16 BGP 0.55102 0.75
17 G6P 0.55102 0.75
18 A6P 0.55102 0.75
19 M6D 0.55102 0.75
20 BG6 0.55102 0.75
21 4R1 0.509434 0.867925
22 GLP 0.509434 0.867925
23 AHG 0.489362 0.642857
24 50A 0.461538 0.62069
25 RF5 0.461538 0.62069
26 GAL NGA A2G 0.449275 0.711864
27 FDQ 0.444444 0.631579
28 GRF 0.442308 0.836364
29 FGR 0.4375 0.786885
30 NG1 0.42623 0.981132
31 GN1 0.42623 0.981132
32 ASG 0.419355 0.774194
33 G6S NAG 0.418919 0.734375
34 T6P 0.416667 0.696429
35 G16 0.413793 0.754717
36 CBS 0.411765 0.724138
37 NAG GDL 0.411765 0.724138
38 NAG NDG 0.411765 0.724138
39 NAG NGA 0.411765 0.724138
40 NAG A2G 0.411765 0.724138
41 CBS CBS 0.411765 0.724138
42 D6G 0.410714 0.722222
43 NDG GAL 0.409091 0.732143
44 NLC 0.409091 0.732143
45 GAL NDG 0.409091 0.732143
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1I1D; Ligand: 16G; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1i1d.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1I1D; Ligand: COA; Similar sites found: 119
This union binding pocket(no: 2) in the query (biounit: 1i1d.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1P0H ACO 0.00000003294 0.67401 None
2 1P0H COA 0.00000003105 0.67401 None
3 1GXU 2HP 0.00001637 0.57005 None
4 2VBQ BSJ 0.00000007854 0.51714 None
5 4XPL ACO 0.0002205 0.47802 None
6 2W58 ADP 0.004334 0.45329 None
7 5CHR 4NC 0.01129 0.4161 None
8 2BES RES 0.009495 0.41569 None
9 4B5P ACO 0.000001429 0.55146 1.24224
10 4RI1 ACO 0.00005193 0.46786 1.86335
11 1Q7L GLY 0.02182 0.40852 2.27273
12 5FVJ ACO 0.000000001195 0.63336 2.48447
13 2CBZ ATP 0.002463 0.46341 3.10559
14 5LKT BCO 0.0004649 0.44264 3.10559
15 4WZ6 ATP 0.008789 0.43365 3.10559
16 2CFC KPC 0.02504 0.40777 3.10559
17 1LCF OXL 0.02019 0.40002 3.10559
18 4KVX ACO 0.00000000134 0.67333 3.20513
19 3PMA SCR 0.0006993 0.4952 3.72671
20 2AWN ADP 0.001115 0.48507 3.72671
21 2DPY ADP 0.009619 0.42861 3.72671
22 4YMU ATP 0.01732 0.41096 3.72671
23 5W8E ADE 0.0003401 0.40649 3.72671
24 5W8E SXZ 0.000359 0.40183 3.72671
25 4H6U ACO 0.000006909 0.50558 4.34783
26 5GVR LMR 0.0004543 0.50055 4.34783
27 1JGS SAL 0.001682 0.41084 4.34783
28 4K30 NLG 0.01731 0.41097 4.375
29 5K04 COA 0.00000006996 0.60446 4.96894
30 3BIY 01K 0.00009863 0.46994 4.96894
31 2NCD ADP 0.01474 0.42161 4.96894
32 5GJC ATP 0.01964 0.40419 4.96894
33 5KTC COA 0.0001491 0.40181 4.96894
34 5KTC FUH 0.0001491 0.40181 4.96894
35 1RYO OXL 0.02722 0.40126 4.96894
36 4R2I ANP 0.004191 0.44735 5.2381
37 2WPW ACO 0.0000004051 0.60859 5.59006
38 2WPX ACO 0.0000003467 0.53618 5.59006
39 5M6N 7H9 0.02559 0.40644 5.9322
40 1IID NHM 0.000008314 0.54026 6.21118
41 2ZW5 COA 0.000001476 0.53764 6.21118
42 2VZZ SCA 0.0000008124 0.51141 6.21118
43 2ZFN ACO 0.00004219 0.4776 6.21118
44 3CZ7 ACO 0.0002246 0.4592 6.21118
45 5FJJ MAN 0.01748 0.43958 6.21118
46 3B5J 12D 0.01635 0.41662 6.21118
47 2IL4 COA 0.000006547 0.55318 6.79612
48 3TO7 COA 0.0000002688 0.57649 6.8323
49 2YNC YNC 0.000001456 0.56652 6.8323
50 4AVB ACO 0.000002073 0.52941 6.8323
51 3B9Q MLI 0.001539 0.47782 6.8323
52 5E5U MLI 0.0277 0.42459 6.8323
53 4AG5 ADP 0.01533 0.42058 6.8323
54 3IA4 MTX 0.007957 0.41541 6.8323
55 2R42 FPS 0.006919 0.40407 6.8323
56 1S7N COA 0.000001534 0.52219 7.45342
57 4PPF FLC 0.001393 0.48659 7.45342
58 1JI0 ATP 0.008319 0.43189 7.45342
59 1G8S MET 0.02881 0.40303 7.45342
60 1BOB ACO 0.00000001433 0.62554 8.07453
61 4QC6 30N 0.000005462 0.52623 8.07453
62 1TV5 N8E 0.02693 0.40527 8.69565
63 3MBI HSX 0.01433 0.41514 9.31677
64 1QSM ACO 0.000000002086 0.63427 9.86842
65 1G6H ADP 0.002191 0.4692 9.93789
66 1JLX GAL A2G MBN 0.02234 0.41155 9.93789
67 3SXN COA 0.000003729 0.51564 10.559
68 4C2Z MYA 0.000001282 0.4525 10.559
69 5H4I 7HQ 0.01057 0.43247 11.3208
70 4PX9 ADP 0.01035 0.41796 11.8012
71 1IYK MYA 0.000001011 0.49456 12.4224
72 5TCI MLI 0.02596 0.40507 13.6646
73 3K9U ACO 0.0000007414 0.40603 13.8365
74 4U9W COA 0.0000000007631 0.66362 14.2857
75 4NSQ COA 0.00000004361 0.64419 14.2857
76 1CM0 COA 0.0000001949 0.63174 14.2857
77 5H86 BCO 0.000000002556 0.61233 14.2857
78 1QSR ACO 0.00000004002 0.61022 14.2857
79 1PUA COA 0.0000003887 0.5941 14.2857
80 1QSN COA 0.0000005632 0.58703 14.2857
81 1Q2D COA 0.0000005361 0.52221 14.2857
82 4YDS ATP 0.01588 0.41728 14.2857
83 2JDC CAO 0.000000009444 0.5911 14.3836
84 2ZPA ACO 0.0000000000944 0.70443 14.9068
85 3D2M COA 0.00000003364 0.62341 15.528
86 1YRE COA 0.0004362 0.42556 15.528
87 4PSW COA 0.000002252 0.49575 15.7895
88 3ZJ0 ACO 0.00000002192 0.62087 16.1491
89 1BO4 COA 0.000002183 0.59884 16.7702
90 3R96 ACO 0.000003129 0.55399 16.7702
91 3R96 AMP 0.000003129 0.55399 16.7702
92 3GCM 5GP 0.02008 0.40076 16.7702
93 3TE4 ACO 0.00000004066 0.59926 17.3913
94 2FT0 ACO 0.00004798 0.51351 17.3913
95 4Z2S NDG 0.02716 0.40637 17.6056
96 4Z2S NAG 0.02716 0.40637 17.6056
97 5JPH COA 0.0000000001107 0.67823 18.0556
98 1TIQ COA 0.00000007643 0.53656 19.2547
99 2Q4V ACO 0.00000000006992 0.7259 19.8758
100 1KUV CA5 0.00000002093 0.63662 21.118
101 1CJW COT 0.00000005426 0.61242 21.118
102 3NHB ADP 0.008554 0.43442 21.118
103 1N71 COA 0.00000002046 0.642 21.7391
104 1JJ7 ADP 0.002249 0.46688 21.7391
105 5HGZ ACO 0.00000001565 0.62684 22.3602
106 2B4B COA 0.0000002099 0.5985 22.3602
107 2B4D COA 0.0000004872 0.54088 22.3602
108 1WWZ ACO 0.00000001115 0.64087 22.6415
109 4KOT CE3 0.00000003339 0.64027 22.9814
110 1M4I PAP 0.0000002761 0.59911 22.9814
111 1M4I COA 0.0000002761 0.59911 22.9814
112 1M4I KAN 0.0000002761 0.59911 22.9814
113 4C2X NHW 0.0000008279 0.58359 27.9503
114 3F8K COA 0.0000002035 0.57882 28.125
115 1GHE ACO 0.000000002811 0.65423 29.1925
116 4UA3 COA 0.00000009417 0.61347 30.9278
117 2CNT COA 0.00000001004 0.63181 31.25
118 1Q2C COA 0.00001561 0.49659 31.5789
119 5GK9 ACO 0.00000005609 0.60938 32
Pocket No.: 3; Query (leader) PDB : 1I1D; Ligand: 16G; Similar sites found: 120
This union binding pocket(no: 3) in the query (biounit: 1i1d.bio1) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1GXU 2HP 0.0000053 0.60735 None
2 1P0H ACO 0.0000007082 0.57663 None
3 1P0H COA 0.0000006677 0.57663 None
4 2VBQ BSJ 0.0000007923 0.51492 None
5 4XPL ACO 0.0003202 0.48256 None
6 2W58 ADP 0.006239 0.4526 None
7 4V2O CLQ 0.03727 0.40281 None
8 4B5P ACO 0.00001012 0.47803 1.24224
9 4RI1 ACO 0.000171 0.41583 1.86335
10 4CVN ADP 0.029 0.4126 1.86335
11 5FVJ ACO 0.00000002421 0.61399 2.48447
12 2CBZ ATP 0.00315 0.46293 3.10559
13 5LKT BCO 0.0006859 0.44712 3.10559
14 3LRE ADP 0.009655 0.43736 3.10559
15 4WZ6 ATP 0.01825 0.42589 3.10559
16 1LCF OXL 0.02535 0.40449 3.10559
17 4KVX ACO 0.0000000236 0.56232 3.20513
18 2IYL GDP 0.01464 0.41996 3.52113
19 2AWN ADP 0.00151 0.48038 3.72671
20 3PMA SCR 0.005944 0.44273 3.72671
21 2DPY ADP 0.01003 0.43735 3.72671
22 5W8E ADE 0.001048 0.41405 3.72671
23 5W8E SXZ 0.001137 0.40896 3.72671
24 4YMU ATP 0.02951 0.40816 3.72671
25 5GVR LMR 0.0003472 0.51713 4.34783
26 4H6U ACO 0.00001927 0.44538 4.34783
27 1JGS SAL 0.0027 0.41313 4.34783
28 4K30 NLG 0.04779 0.40084 4.375
29 5K04 COA 0.0000001821 0.6037 4.96894
30 3BIY 01K 0.0001369 0.42232 4.96894
31 5KTC FUH 0.0003608 0.41375 4.96894
32 5KTC COA 0.0003608 0.41375 4.96894
33 2NCD ADP 0.03505 0.40936 4.96894
34 1RYO OXL 0.0351 0.40412 4.96894
35 5LB3 ADP 0.03622 0.40347 4.96894
36 4R2I ANP 0.0121 0.43299 5.2381
37 2WPW ACO 0.000004141 0.57678 5.59006
38 2WPX ACO 0.000003232 0.45583 5.59006
39 2YGM GLA NAG GAL FUC 0.02878 0.40873 5.59006
40 2ZR9 DTP 0.03044 0.40369 5.59006
41 5M6N 7H9 0.0325 0.40993 5.9322
42 2VZZ SCA 0.000002974 0.52151 6.21118
43 1IID NHM 0.0000133 0.50099 6.21118
44 2ZFN ACO 0.0002207 0.46388 6.21118
45 2ZW5 COA 0.000007878 0.46193 6.21118
46 5FJJ MAN 0.02223 0.46137 6.21118
47 1HGX 5GP 0.01617 0.42186 6.21118
48 3KC1 2T6 0.01001 0.40996 6.21118
49 3B5J 12D 0.03427 0.40868 6.21118
50 3CZ7 ACO 0.001144 0.40185 6.21118
51 2IL4 COA 0.000004075 0.57711 6.79612
52 3B9Q MLI 0.0002975 0.53176 6.8323
53 4AVB ACO 0.000009536 0.52011 6.8323
54 2YNC YNC 0.000003461 0.51726 6.8323
55 3TO7 COA 0.000002594 0.48703 6.8323
56 4AG5 ADP 0.01717 0.42656 6.8323
57 2R42 FPS 0.01108 0.40486 6.8323
58 3IA4 MTX 0.02323 0.40259 6.8323
59 4PPF FLC 0.001545 0.49251 7.45342
60 1S7N COA 0.000008082 0.44665 7.45342
61 1JI0 ATP 0.008079 0.44236 7.45342
62 4IEE AGS 0.03866 0.40197 7.45342
63 1BOB ACO 0.0000001564 0.59996 8.07453
64 4QC6 30N 0.000008262 0.53286 8.07453
65 3BER AMP 0.03359 0.40149 8.07453
66 1TV5 N8E 0.01792 0.42848 8.69565
67 1QSM ACO 0.00000001687 0.62675 9.86842
68 1G6H ADP 0.005033 0.45566 9.93789
69 1JLX GAL A2G MBN 0.01206 0.43494 9.93789
70 2OBM ADP 0.02189 0.42298 9.93789
71 4C2Z MYA 0.000002835 0.47059 10.559
72 3SXN COA 0.000008873 0.45463 10.559
73 4C2Z 646 0.000002109 0.40643 10.559
74 1IYK MYA 0.000003121 0.51196 12.4224
75 5TCI MLI 0.02754 0.40548 13.6646
76 4U9W COA 0.00000004016 0.618 14.2857
77 4NSQ COA 0.000001192 0.59499 14.2857
78 1CM0 COA 0.000003245 0.5891 14.2857
79 1PUA COA 0.000002164 0.57624 14.2857
80 1QSN COA 0.000003541 0.56654 14.2857
81 5H86 BCO 0.0000004223 0.55926 14.2857
82 1QSR ACO 0.000001603 0.50071 14.2857
83 1Q2D COA 0.000006526 0.43863 14.2857
84 4YDS ATP 0.02656 0.41466 14.2857
85 2JDC CAO 0.0000001576 0.57599 14.3836
86 2ZPA ACO 0.0000000006543 0.59384 14.9068
87 3D2M COA 0.0000007738 0.52458 15.528
88 4PSW COA 0.00000246 0.44335 15.7895
89 3ZJ0 ACO 0.0000002071 0.52724 16.1491
90 1BO4 COA 0.000000297 0.65756 16.7702
91 3R96 ACO 0.00003567 0.48035 16.7702
92 3R96 AMP 0.00003567 0.48035 16.7702
93 3TE4 ACO 0.0000001803 0.5119 17.3913
94 2FT0 ACO 0.0001421 0.50419 17.3913
95 4Z2S NDG 0.04065 0.40495 17.6056
96 4Z2S NAG 0.04065 0.40495 17.6056
97 3TDC 0EU 0.01989 0.4212 18.0124
98 5JPH COA 0.000000001794 0.56104 18.0556
99 1TIQ COA 0.0000009858 0.45455 19.2547
100 2Q4V ACO 0.000000002112 0.5995 19.8758
101 1KUV CA5 0.00000007134 0.57299 21.118
102 1CJW COT 0.0000002362 0.5396 21.118
103 3NHB ADP 0.01891 0.42449 21.118
104 1N71 COA 0.0000001385 0.62284 21.7391
105 1JJ7 ADP 0.00488 0.45463 21.7391
106 2B4B COA 0.000001609 0.57552 22.3602
107 5HGZ ACO 0.0000001885 0.5276 22.3602
108 2B4D COA 0.000003149 0.4584 22.3602
109 1WWZ ACO 0.0000001487 0.54717 22.6415
110 1M4I PAP 0.000000112 0.57553 22.9814
111 1M4I KAN 0.000000112 0.57553 22.9814
112 1M4I COA 0.000000112 0.57553 22.9814
113 4KOT CE3 0.0000001391 0.57375 22.9814
114 4C2X NHW 0.000001996 0.53269 27.9503
115 3F8K COA 0.0000004054 0.50707 28.125
116 1GHE ACO 0.00000001771 0.55422 29.1925
117 4UA3 COA 0.000001178 0.58153 30.9278
118 2CNT COA 0.00000002553 0.55047 31.25
119 1Q2C COA 0.00005155 0.43367 31.5789
120 5GK9 ACO 0.0000009667 0.51164 32
Pocket No.: 4; Query (leader) PDB : 1I1D; Ligand: 16G; Similar sites found: 16
This union binding pocket(no: 4) in the query (biounit: 1i1d.bio2) has 32 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CHR 4NC 0.01535 0.4189 None
2 4P7U 1PS 0.04797 0.41257 None
3 2BES RES 0.01793 0.41166 None
4 5AYI BGC 0.0392 0.40552 2.48447
5 5CQG 55C 0.02912 0.4167 3.10559
6 1GOJ ADP 0.009717 0.44148 3.72671
7 5GJC ATP 0.02947 0.40441 4.96894
8 2X1L MET 0.03603 0.40905 5.59006
9 5E5U MLI 0.03348 0.42487 6.8323
10 1G8S MET 0.02516 0.41554 7.45342
11 5L8L ADP 0.0254 0.40773 7.69231
12 3MBI HSX 0.02847 0.40897 9.31677
13 1J78 OLA 0.03279 0.40111 11.1801
14 2WW4 ADP 0.02899 0.40123 13.0742
15 3K9U ACO 0.00000152 0.42166 13.8365
16 4ONT SIA GAL BGC 0.02045 0.42144 13.9535
Pocket No.: 5; Query (leader) PDB : 1I1D; Ligand: COA; Similar sites found: 11
This union binding pocket(no: 5) in the query (biounit: 1i1d.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4P7U 1PS 0.03983 0.40927 None
2 3LRE ADP 0.004414 0.44925 3.10559
3 5CQG 55C 0.01903 0.4167 3.10559
4 3LE7 ADE 0.03159 0.40074 3.10559
5 2IYL GDP 0.01973 0.40255 3.52113
6 1GOJ ADP 0.006127 0.44148 3.72671
7 3KC1 2T6 0.00842 0.40199 6.21118
8 5N49 8LW 0.03037 0.40104 6.66667
9 5L8L ADP 0.0155 0.40773 7.69231
10 1J78 OLA 0.02212 0.40111 11.1801
11 2WW4 ADP 0.01758 0.40123 13.0742
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