Receptor
PDB id Resolution Class Description Source Keywords
2C27 1.8 Å EC: 2.-.-.- THE STRUCTURE OF MYCOTHIOL SYNTHASE IN COMPLEX WITH DES- ACETYLMYCOTHIOL AND COENZYMEA. MYCOBACTERIUM TUBERCULOSIS SYNTHASE MYCOBACTERIUM TUBERCULOSIS MYCOTHIOL SYNTHASE DES- ACETYLMYCOTHIOL ACETYLTRANSFERASE GNAT GCN5 RELATED N- ACETYLTRANSFERASE
Ref.: THE SUBSTRATE-INDUCED CONFORMATIONAL CHANGE OF MYCOBACTERIUM TUBERCULOSIS MYCOTHIOL SYNTHASE. J.BIOL.CHEM. V. 281 2795 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:1313;
Valid;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
COA A:1314;
Valid;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
MA8 A:1312;
Valid;
none;
submit data
444.455 C15 H28 N2 O11 S C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P0H 1.6 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF RV0819 FROM MYCOBACTERIUM TUBERCULOSIS MYCOTHIOL SYNTHASE COENZYME A COMPLEX MYCOBACTERIUM TUBERCULOSIS GNAT FOLD ACETYLTRANSFERASE COENZYME A COMPLEX MSHD TRAN
Ref.: CRYSTAL STRUCTURE OF MYCOTHIOL SYNTHASE (RV0819) FR MYCOBACTERIUM TUBERCULOSIS SHOWS STRUCTURAL HOMOLOG GNAT FAMILY OF N-ACETYLTRANSFERASES. PROTEIN SCI. V. 12 1954 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 2C27 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1OZP - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
3 1P0H - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 2C27 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1OZP - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
3 1P0H - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2C27 - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
2 1OZP - ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
3 1P0H - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ACO; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 COS 0.898305 0.944444
4 CAO 0.898305 0.934066
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 1VU 0.885246 0.977528
9 CO6 0.885246 0.988636
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 IVC 0.870968 0.977273
13 1HE 0.870968 0.966667
14 MLC 0.870968 0.966292
15 BCO 0.870968 0.966292
16 3HC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 COO 0.864 0.966292
19 MCA 0.864 0.977528
20 COK 0.861789 0.944444
21 0T1 0.857143 0.94382
22 SCA 0.857143 0.966292
23 COA 0.857143 0.965909
24 DCA 0.855932 0.94382
25 CMC 0.854839 0.944444
26 30N 0.85124 0.885417
27 HGG 0.850394 0.966292
28 IRC 0.850394 0.977273
29 BYC 0.850394 0.966292
30 COW 0.850394 0.955556
31 1GZ 0.850394 0.955556
32 BCA 0.84375 0.955556
33 FAQ 0.84375 0.966292
34 2CP 0.84252 0.955556
35 A1S 0.84127 0.966292
36 ETB 0.840336 0.932584
37 GRA 0.837209 0.966292
38 HXC 0.837209 0.988764
39 AMX 0.836066 0.954545
40 TGC 0.830769 0.955556
41 SCO 0.829268 0.94382
42 CMX 0.829268 0.94382
43 1CZ 0.824427 0.955556
44 CO8 0.824427 0.988764
45 2NE 0.824427 0.945055
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 2KQ 0.821705 0.988764
49 COF 0.821705 0.923913
50 3CP 0.821705 0.944444
51 UCC 0.818182 0.988764
52 ST9 0.818182 0.988764
53 DCC 0.818182 0.988764
54 MFK 0.818182 0.988764
55 5F9 0.818182 0.988764
56 MYA 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 WCA 0.80597 0.945055
60 CS8 0.80597 0.977778
61 SCD 0.804688 0.94382
62 CA6 0.80315 0.896907
63 MCD 0.80315 0.966292
64 4KX 0.8 0.934783
65 HDC 0.8 0.988764
66 CIC 0.796992 0.944444
67 NMX 0.796875 0.875
68 MRS 0.794118 0.988764
69 MRR 0.794118 0.988764
70 4CO 0.791045 0.934066
71 0FQ 0.791045 0.944444
72 CAJ 0.790698 0.944444
73 YNC 0.788321 0.955556
74 DAK 0.788321 0.934783
75 01A 0.785185 0.904255
76 0ET 0.785185 0.966667
77 8Z2 0.782609 0.977778
78 HFQ 0.781022 0.923913
79 1CV 0.779412 0.966292
80 YE1 0.778626 0.933333
81 NHM 0.773723 0.966667
82 NHW 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 CA8 0.766917 0.877551
85 1HA 0.760563 0.945055
86 NHQ 0.746479 0.955056
87 S0N 0.744526 0.923077
88 CCQ 0.744526 0.945652
89 01K 0.743056 0.966292
90 COT 0.737931 0.944444
91 CA3 0.727891 0.944444
92 UCA 0.721854 0.988764
93 CO7 0.713235 0.966292
94 CA5 0.703947 0.904255
95 93P 0.699346 0.934066
96 COD 0.692913 0.954545
97 93M 0.666667 0.934066
98 4BN 0.656627 0.946237
99 5TW 0.656627 0.946237
100 OXT 0.634731 0.946237
101 HMG 0.62585 0.933333
102 PLM COA 0.61745 0.955556
103 COA MYR 0.61745 0.955556
104 COA PLM 0.61745 0.955556
105 JBT 0.609195 0.926316
106 BSJ 0.594118 0.913979
107 PAP 0.577586 0.784091
108 PPS 0.53719 0.729167
109 191 0.532895 0.877551
110 RFC 0.53125 0.966667
111 SFC 0.53125 0.966667
112 A3P 0.525862 0.772727
113 ACE SER ASP ALY THR NH2 COA 0.505435 0.923077
114 0WD 0.503497 0.763441
115 PTJ 0.462687 0.842697
116 3AM 0.461538 0.761364
117 3OD 0.451852 0.797753
118 A22 0.450382 0.786517
119 PUA 0.447368 0.793478
120 A2D 0.446281 0.775281
121 PAJ 0.443609 0.853933
122 ATR 0.440945 0.772727
123 AGS 0.440945 0.8
124 SAP 0.440945 0.8
125 OAD 0.437037 0.797753
126 ADP 0.435484 0.795455
127 A2R 0.431818 0.786517
128 BA3 0.427419 0.775281
129 NA7 0.426471 0.829545
130 ATP 0.425197 0.795455
131 AP5 0.424 0.775281
132 B4P 0.424 0.775281
133 ADQ 0.422222 0.777778
134 5FA 0.421875 0.795455
135 AR6 0.421875 0.775281
136 APR 0.421875 0.775281
137 AQP 0.421875 0.795455
138 2A5 0.421875 0.818182
139 48N 0.42069 0.802198
140 AN2 0.420635 0.786517
141 FYA 0.42029 0.786517
142 M33 0.417323 0.786517
143 SRP 0.413534 0.808989
144 ANP 0.412214 0.777778
145 YLB 0.412162 0.877778
146 FA5 0.411348 0.788889
147 YLP 0.410959 0.877778
148 ME8 0.410072 0.835165
149 APU 0.409396 0.76087
150 5AL 0.409091 0.786517
151 7D3 0.408 0.766667
152 NJP 0.407895 0.78022
153 AD9 0.407692 0.777778
154 25L 0.407143 0.786517
155 7D4 0.40625 0.766667
156 CA0 0.40625 0.777778
157 ATF 0.406015 0.769231
158 A A A 0.405797 0.786517
159 A2P 0.404762 0.761364
160 8QN 0.404412 0.786517
161 LAQ 0.40411 0.815217
162 NDP 0.403974 0.763441
163 ACP 0.403101 0.797753
164 ACQ 0.401515 0.797753
165 YAP 0.401408 0.78022
166 ATP A A A 0.401408 0.744444
167 1ZZ 0.4 0.855556
168 PAX 0.4 0.768421
169 TXA 0.4 0.788889
170 NB8 0.4 0.782609
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
Ligand no: 3; Ligand: MA8; Similar ligands found: 59
No: Ligand ECFP6 Tc MDL keys Tc
1 MA8 1 1
2 NAG MBG 0.521127 0.811321
3 NGA GAL 0.507042 0.843137
4 NAG GAL 0.507042 0.843137
5 GAL NAG 0.507042 0.843137
6 A2G MBG 0.493151 0.811321
7 MBG A2G 0.493151 0.811321
8 MAN NAG 0.492958 0.843137
9 MAG 0.484375 0.788462
10 2F8 0.484375 0.788462
11 NAG NM9 0.469136 0.818182
12 NAG MAN MMA 0.4625 0.811321
13 NAG A2G 0.459459 0.830189
14 CBS 0.459459 0.830189
15 NAG NDG 0.459459 0.830189
16 NAG GDL 0.459459 0.830189
17 CBS CBS 0.459459 0.830189
18 NAG NGA 0.459459 0.830189
19 NAG GAL BGC 0.451219 0.843137
20 NDG NAG 0.447368 0.814815
21 TNR 0.445946 0.901961
22 NAG MUB 0.440476 0.8
23 NAG AMU 0.440476 0.8
24 NGA GAL BGC 0.4375 0.843137
25 NAG NAG NAG NAG NAG NAG NAG NAG 0.435897 0.814815
26 NAG NAG NAG NAG NDG NAG 0.435897 0.814815
27 NAG NAG NAG NAG NAG NAG 0.435897 0.814815
28 NAG NAG NDG 0.435897 0.814815
29 NAG NAG NAG NAG 0.435897 0.814815
30 NAG NAG NAG NDG 0.435897 0.814815
31 NDG NAG NAG 0.435897 0.814815
32 NDG NAG NAG NDG 0.435897 0.814815
33 NDG NAG NAG NAG 0.435897 0.814815
34 NAG NAG NAG 0.435897 0.814815
35 NAG NAG NAG NAG NDG 0.435897 0.814815
36 CTO 0.435897 0.814815
37 NDG NAG NAG NDG NAG 0.435897 0.814815
38 NAG NAG 0.435897 0.818182
39 NAG NAG NAG NAG NAG 0.435897 0.814815
40 NAG GAL NAG 0.433735 0.830189
41 NAG AMU NAG AMV 0.433333 0.785714
42 NAG MAN MAN 0.428571 0.843137
43 NAG MAN BMA 0.428571 0.843137
44 NGA GLA GAL BGC 0.425287 0.843137
45 3YW 0.424658 0.84
46 3QL 0.419753 0.77193
47 MAN MAN NAG 0.416667 0.846154
48 NAG AH0 0.41573 0.745763
49 NAG NGO 0.414634 0.77193
50 GN1 0.414286 0.672131
51 NG1 0.414286 0.672131
52 NGT NAG 0.411765 0.725806
53 MYG 0.409091 0.77551
54 A2G GLA FUC 0.404762 0.826923
55 NGA GAL FUC 0.404762 0.826923
56 FUC GLA A2G 0.404762 0.826923
57 A2G GAL FUC 0.404762 0.826923
58 FUC GAL A2G 0.404762 0.826923
59 FUC GL0 A2G 0.404762 0.826923
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P0H; Ligand: ACO; Similar sites found: 136
This union binding pocket(no: 1) in the query (biounit: 1p0h.bio1) has 61 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1I1D COA 0.00000003294 0.67401 None
2 5JPH COA 0.000002137 0.60897 None
3 4UA3 COA 0.000003165 0.60075 None
4 1I1D 16G 0.0000007082 0.57663 None
5 2WOR 2AN 0.001137 0.52542 None
6 1M2Z BOG 0.01096 0.48227 None
7 1UO4 PIH 0.04894 0.40223 None
8 3CZ7 ACO 0.00559 0.42948 1.25786
9 2PX6 DH9 0.0391 0.41152 1.58228
10 5UNJ RJW 0.04145 0.41021 1.63265
11 1T5C ADP 0.01992 0.44899 1.88679
12 2IL4 COA 0.00005487 0.55742 1.94175
13 2CBZ ATP 0.01681 0.44359 2.1097
14 2AWN ADP 0.02139 0.44104 2.20126
15 5EE7 5MV 0.02366 0.43878 2.20126
16 1XMV ADP 0.04887 0.4125 2.20126
17 3P2H NOO 0.01981 0.42363 2.48756
18 5W8E ADE 0.003595 0.42267 2.71493
19 5W8E SXZ 0.004413 0.41685 2.71493
20 1G6H ADP 0.0345 0.43306 2.72374
21 1TMX HGX 0.006209 0.43895 2.73038
22 2CFA FAD 0.02722 0.40586 2.76498
23 4PPF FLC 0.001684 0.52093 2.83019
24 2HHP FLC 0.0003592 0.50365 2.83019
25 3RC3 ANP 0.02073 0.44032 2.83019
26 1YQT ADP 0.04641 0.4255 2.83019
27 1XVB 3BR 0.01126 0.45085 2.94118
28 5GVR LMR 0.01481 0.42989 2.99145
29 4FOJ C2E 0.03776 0.41231 3.0303
30 4V3I ASP LEU THR ARG PRO 0.01596 0.45615 3.11284
31 1BOB ACO 0.0000002236 0.63602 3.14465
32 1TV5 N8E 0.0289 0.44638 3.14465
33 4RI1 ACO 0.000003664 0.59769 3.22581
34 3B6C SDN 0.007963 0.46836 3.4188
35 2TOH HBI 0.0278 0.43922 3.45912
36 2OG2 MLI 0.01168 0.43289 3.45912
37 2ZR9 DTP 0.04356 0.41856 3.45912
38 2W58 ADP 0.03949 0.43127 3.46535
39 3B9Q MLI 0.03415 0.41684 3.64238
40 4NSQ COA 0.000004586 0.6056 3.68421
41 3SXN COA 0.000006003 0.58159 3.77358
42 4LOC OXM 0.01995 0.43771 3.77358
43 1XP8 AGS 0.0297 0.43153 3.77358
44 3W54 RNB 0.03789 0.40935 3.77358
45 1CM0 COA 0.00001315 0.59573 4.16667
46 1QSR ACO 0.0000008572 0.60362 4.32099
47 1Q2D COA 0.00001232 0.58415 4.32099
48 1QSN COA 0.00001209 0.57849 4.32099
49 1Q2C COA 0.0002894 0.49784 4.32099
50 5TVI MYR 0.02166 0.4523 4.34783
51 1V0C KNC 0.00003899 0.43746 4.45545
52 1V0C ACO 0.00008927 0.40955 4.45545
53 3AQT RCO 0.03536 0.4348 4.4898
54 5U83 ZN8 0.02159 0.44355 4.71698
55 5EY0 GTP 0.04968 0.41538 4.74453
56 5OCA 9QZ 0.009651 0.48597 4.7619
57 3R96 AMP 0.00002565 0.49575 4.78723
58 3R96 ACO 0.00002565 0.49575 4.78723
59 1U0J ADP 0.045 0.42131 4.86891
60 3EYK EYK 0.01108 0.47535 5.03145
61 2VZZ SCA 0.000000613 0.58882 5.04587
62 2BJ4 OHT 0.02508 0.41275 5.15873
63 4WQ2 3SU 0.0124 0.43387 5.20231
64 2B4B COA 0.00001963 0.56259 5.26316
65 1IYK MYA 0.0001334 0.48357 5.34591
66 3B5J 12D 0.03338 0.43263 5.34979
67 1JJ7 ADP 0.008792 0.47303 5.38462
68 4I67 G G G RPC 0.01376 0.44609 5.74713
69 4KVX ACO 0.000000002513 0.71003 5.76923
70 1NF8 BOG 0.02361 0.45117 5.7971
71 5KTC FUH 0.003928 0.41248 5.85106
72 5KTC COA 0.003928 0.41248 5.85106
73 1QSM ACO 0.00000005615 0.65041 5.92105
74 4V36 LYN 0.02989 0.43716 5.97484
75 2D2F ADP 0.001148 0.52674 6
76 1DKF BMS 0.01003 0.42618 6.00858
77 3TE4 ACO 0.000005006 0.57972 6.04651
78 1YRE COA 0.0001804 0.52587 6.09137
79 4KFU ACP 0.01552 0.45524 6.13208
80 4R2I ANP 0.003227 0.49074 6.19048
81 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.003335 0.499 6.27615
82 4U9W COA 0.00000004291 0.66204 6.28019
83 3TDC 0EU 0.0001081 0.61829 6.28931
84 4RW3 TDA 0.01104 0.45003 6.29139
85 1L0I PSR 0.03842 0.42823 6.41026
86 2Q4V ACO 0.0000001049 0.63841 6.47059
87 3LN9 FLC 0.002573 0.48769 6.47482
88 4H6U ACO 0.00001675 0.56051 6.5
89 1JGS SAL 0.01562 0.40596 6.52174
90 4WOH 4NP 0.03973 0.41274 6.62651
91 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.02113 0.44987 6.80272
92 2PRG BRL 0.04922 0.40354 7.01107
93 5H86 BCO 0.000000435 0.60025 7.14286
94 1IID NHM 0.00214 0.41625 7.2327
95 4C2Z MYA 0.0004014 0.44526 7.54717
96 1H6H PIB 0.02774 0.41079 7.69231
97 1KUV CA5 0.0000002196 0.59743 7.72947
98 3D2M COA 0.00000204 0.56681 7.86164
99 3TO7 COA 0.000001705 0.59021 7.97101
100 5E5U MLI 0.03606 0.42653 8.0402
101 2WPX ACO 0.00000009498 0.68979 8.25959
102 2WPW ACO 0.0000002801 0.67429 8.25959
103 1M4I PAP 0.00006459 0.48047 8.28729
104 1M4I COA 0.00006459 0.48047 8.28729
105 1M4I KAN 0.00006459 0.48047 8.28729
106 2ZFN ACO 0.0009887 0.46606 8.49057
107 1G8S MET 0.0382 0.4293 8.69565
108 2VEZ G6P 0.000001548 0.56722 8.94737
109 2VEZ ACO 0.000004185 0.55365 8.94737
110 5V4R MGT 0.03911 0.43738 9.25926
111 2ZPA ACO 0.0000000302 0.40514 9.43396
112 4PSW COA 0.0000063 0.60535 9.74843
113 2VWA PTY 0.03121 0.43942 9.90099
114 1KC7 PPR 0.01333 0.45468 10.0629
115 2DPY ADP 0.04561 0.42476 10.0629
116 5GK9 ACO 0.000001213 0.58623 10.1449
117 3N7S 3N7 0.02992 0.44232 10.4348
118 4U00 ADP 0.005628 0.48467 11.4754
119 5HGZ ACO 0.00000005386 0.65761 11.5226
120 1N71 COA 0.00001043 0.57581 11.6667
121 3W5J GDP 0.03366 0.43509 11.7647
122 1GXU 2HP 0.0005643 0.5115 12.0879
123 4AG9 COA 0.00001532 0.60666 12.1212
124 4K30 NLG 0.001849 0.50451 12.5
125 1S7N COA 0.000002717 0.60394 12.6374
126 5CHR 4NC 0.02431 0.44231 13.8686
127 5K04 COA 0.000004342 0.58259 15.2941
128 4QC6 30N 0.0000007309 0.61855 17.8771
129 4R3L COA 0.002842 0.41372 18.4971
130 4C2X NHW 0.0003897 0.44334 18.8679
131 4YSX E23 0.007083 0.47126 19.6809
132 2VBQ BSJ 0.00001081 0.517 25.4545
133 2CNT COA 0.000000000005023 0.84837 27.5
134 4HBM 0Y7 0.02341 0.41996 30
135 1WWZ ACO 0.000000003902 0.68789 35.2201
136 1YRX FMN 0.02188 0.42458 45.4545
Pocket No.: 2; Query (leader) PDB : 1P0H; Ligand: COA; Similar sites found: 117
This union binding pocket(no: 2) in the query (biounit: 1p0h.bio1) has 60 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1I1D COA 0.00000003105 0.67401 None
2 5JPH COA 0.000002037 0.60897 None
3 4UA3 COA 0.000003019 0.60075 None
4 1I1D 16G 0.0000006677 0.57663 None
5 2WOR 2AN 0.01017 0.46961 None
6 1UO4 PIH 0.048 0.40223 None
7 3CZ7 ACO 0.005397 0.42948 1.25786
8 1T5C ADP 0.01947 0.44899 1.88679
9 2IL4 COA 0.00005277 0.55742 1.94175
10 2CBZ ATP 0.01642 0.44359 2.1097
11 2AWN ADP 0.02092 0.44104 2.20126
12 5EE7 5MV 0.0322 0.43342 2.20126
13 1XMV ADP 0.04768 0.4125 2.20126
14 3P2H NOO 0.01926 0.42363 2.48756
15 5W8E ADE 0.003456 0.42267 2.71493
16 5W8E SXZ 0.004242 0.41685 2.71493
17 1G6H ADP 0.03375 0.43306 2.72374
18 1TMX HGX 0.02708 0.40788 2.73038
19 4PPF FLC 0.001792 0.51911 2.83019
20 2HHP FLC 0.0003505 0.50365 2.83019
21 3RC3 ANP 0.02021 0.44032 2.83019
22 1YQT ADP 0.04537 0.4255 2.83019
23 5GVR LMR 0.0145 0.42989 2.99145
24 4V3I ASP LEU THR ARG PRO 0.02538 0.44421 3.11284
25 1BOB ACO 0.0000002116 0.63602 3.14465
26 1BRW URA 0.01832 0.44865 3.14465
27 1TV5 N8E 0.02826 0.44638 3.14465
28 4RI1 ACO 0.000003497 0.59769 3.22581
29 3B6C SDN 0.02795 0.43648 3.4188
30 2TOH HBI 0.02715 0.43922 3.45912
31 2OG2 MLI 0.01143 0.43289 3.45912
32 2ZR9 DTP 0.0466 0.41635 3.45912
33 2W58 ADP 0.03864 0.43127 3.46535
34 3B9Q MLI 0.03345 0.41684 3.64238
35 4NSQ COA 0.000004386 0.6056 3.68421
36 3SXN COA 0.00000573 0.58159 3.77358
37 1XP8 AGS 0.02897 0.43153 3.77358
38 1CM0 COA 0.00001262 0.59573 4.16667
39 1QSR ACO 0.0000008128 0.60362 4.32099
40 1Q2D COA 0.0000118 0.58415 4.32099
41 1QSN COA 0.00001158 0.57849 4.32099
42 1Q2C COA 0.0002782 0.49784 4.32099
43 1V0C KNC 0.0000364 0.43746 4.45545
44 1V0C ACO 0.00007805 0.40955 4.45545
45 5U83 ZN8 0.02106 0.44355 4.71698
46 3R96 ACO 0.0000243 0.49575 4.78723
47 3R96 AMP 0.0000243 0.49575 4.78723
48 1U0J ADP 0.04822 0.41902 4.86891
49 3EYK EYK 0.01084 0.47535 5.03145
50 2VZZ SCA 0.0000005788 0.58882 5.04587
51 4WQ2 3SU 0.01205 0.43387 5.20231
52 2B4B COA 0.00002611 0.55573 5.26316
53 1IYK MYA 0.0001273 0.48357 5.34591
54 3B5J 12D 0.03259 0.43263 5.34979
55 1JJ7 ADP 0.008581 0.47303 5.38462
56 4I67 G G G RPC 0.0134 0.44609 5.74713
57 4KVX ACO 0.000000002351 0.71003 5.76923
58 1NF8 BOG 0.02308 0.45117 5.7971
59 5KTC COA 0.003769 0.41248 5.85106
60 5KTC FUH 0.003769 0.41248 5.85106
61 1QSM ACO 0.00000005289 0.65041 5.92105
62 4V36 LYN 0.0292 0.43716 5.97484
63 2D2F ADP 0.001251 0.52449 6
64 3TE4 ACO 0.000004772 0.57972 6.04651
65 1YRE COA 0.0001737 0.52587 6.09137
66 4KFU ACP 0.01515 0.45524 6.13208
67 4R2I ANP 0.003137 0.49074 6.19048
68 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.003247 0.499 6.27615
69 4U9W COA 0.00000004043 0.66204 6.28019
70 3TDC 0EU 0.0001053 0.61829 6.28931
71 4RW3 TDA 0.01081 0.45003 6.29139
72 2Q4V ACO 0.00000009529 0.63913 6.47059
73 3LN9 FLC 0.002512 0.48769 6.47482
74 4H6U ACO 0.00001651 0.55989 6.5
75 1JGS SAL 0.01531 0.40596 6.52174
76 4WOH 4NP 0.03893 0.41274 6.62651
77 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03767 0.44393 6.80272
78 5H86 BCO 0.0000004108 0.60025 7.14286
79 1IID NHM 0.002046 0.41625 7.2327
80 4C2Z MYA 0.0003824 0.44526 7.54717
81 1GMN IDS SGN IDS SGN IDS 0.04985 0.42384 7.65027
82 1H6H PIB 0.02718 0.41079 7.69231
83 1KUV CA5 0.0000002065 0.59743 7.72947
84 3D2M COA 0.000001931 0.56681 7.86164
85 3TO7 COA 0.000001619 0.59021 7.97101
86 5E5U MLI 0.03538 0.42653 8.0402
87 2WPX ACO 0.00000009017 0.68979 8.25959
88 2WPW ACO 0.0000002667 0.67429 8.25959
89 1M4I PAP 0.00006024 0.48077 8.28729
90 1M4I COA 0.00006024 0.48077 8.28729
91 1M4I KAN 0.00006024 0.48077 8.28729
92 2ZFN ACO 0.0009517 0.46606 8.49057
93 1G8S MET 0.03736 0.4293 8.69565
94 2VEZ G6P 0.000001463 0.56722 8.94737
95 2VEZ ACO 0.000003968 0.55365 8.94737
96 2ZPA ACO 0.00000002849 0.40841 9.43396
97 4PSW COA 0.000006034 0.60535 9.74843
98 2VWA PTY 0.03056 0.43942 9.90099
99 2DPY ADP 0.04456 0.42476 10.0629
100 5GK9 ACO 0.000001149 0.58623 10.1449
101 3N7S 3N7 0.02926 0.44232 10.4348
102 4U00 ADP 0.005488 0.48467 11.4754
103 5HGZ ACO 0.00000005077 0.65761 11.5226
104 1N71 COA 0.000009975 0.57581 11.6667
105 3W5J GDP 0.03291 0.43509 11.7647
106 1GXU 2HP 0.0005498 0.5115 12.0879
107 4AG9 COA 0.00001474 0.60666 12.1212
108 4K30 NLG 0.001796 0.50451 12.5
109 1S7N COA 0.000002592 0.60394 12.6374
110 5K04 COA 0.000004138 0.58259 15.2941
111 4QC6 30N 0.000000694 0.61855 17.8771
112 4R3L COA 0.002721 0.41372 18.4971
113 4C2X NHW 0.0003709 0.44334 18.8679
114 2VBQ BSJ 0.00001024 0.517 25.4545
115 2CNT COA 0.000000000004649 0.84837 27.5
116 1WWZ ACO 0.000000003646 0.68789 35.2201
117 1YRX FMN 0.02128 0.42458 45.4545
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