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Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACO A:600;
Valid;
none;
submit data
809.571 C23 H38 N7 O17 P3 S CC(=O...
COA A:601;
Valid;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(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 269 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 237 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 187 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: 178
No: Ligand ECFP6 Tc MDL keys Tc
1 ACO 1 1
2 3KK 0.9 0.988636
3 CAO 0.898305 0.934066
4 COS 0.898305 0.944444
5 2MC 0.893443 0.945652
6 OXK 0.892562 0.966292
7 MC4 0.887097 0.935484
8 CO6 0.885246 0.988636
9 1VU 0.885246 0.977528
10 CAA 0.879032 0.977273
11 SOP 0.877049 0.966292
12 MLC 0.870968 0.966292
13 BCO 0.870968 0.966292
14 1HE 0.870968 0.966667
15 3HC 0.870968 0.977273
16 IVC 0.870968 0.977273
17 FYN 0.868852 0.965909
18 MCA 0.864 0.977528
19 COO 0.864 0.966292
20 COK 0.861789 0.944444
21 COA 0.857143 0.965909
22 SCA 0.857143 0.966292
23 0T1 0.857143 0.94382
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 BYC 0.850394 0.966292
29 COW 0.850394 0.955556
30 IRC 0.850394 0.977273
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 2NE 0.824427 0.945055
44 1CZ 0.824427 0.955556
45 CO8 0.824427 0.988764
46 FAM 0.822581 0.923077
47 FCX 0.822581 0.913043
48 COF 0.821705 0.923913
49 3CP 0.821705 0.944444
50 2KQ 0.821705 0.988764
51 MYA 0.818182 0.988764
52 ST9 0.818182 0.988764
53 UCC 0.818182 0.988764
54 DCC 0.818182 0.988764
55 MFK 0.818182 0.988764
56 5F9 0.818182 0.988764
57 HAX 0.816 0.923077
58 4CA 0.815385 0.934066
59 7L1 0.814516 1
60 WCA 0.80597 0.945055
61 CS8 0.80597 0.977778
62 SCD 0.804688 0.94382
63 MCD 0.80315 0.966292
64 CA6 0.80315 0.896907
65 HDC 0.8 0.988764
66 4KX 0.8 0.934783
67 CIC 0.796992 0.944444
68 NMX 0.796875 0.875
69 MRR 0.794118 0.988764
70 MRS 0.794118 0.988764
71 4CO 0.791045 0.934066
72 0FQ 0.791045 0.944444
73 CAJ 0.790698 0.944444
74 YNC 0.788321 0.955556
75 DAK 0.788321 0.934783
76 0ET 0.785185 0.966667
77 01A 0.785185 0.904255
78 8Z2 0.782609 0.977778
79 HFQ 0.781022 0.923913
80 1CV 0.779412 0.966292
81 YE1 0.778626 0.933333
82 NHM 0.773723 0.966667
83 UOQ 0.773723 0.966667
84 NHW 0.773723 0.966667
85 CA8 0.766917 0.877551
86 F8G 0.762238 0.946237
87 1HA 0.760563 0.945055
88 NHQ 0.746479 0.955056
89 S0N 0.744526 0.923077
90 CCQ 0.744526 0.945652
91 01K 0.743056 0.966292
92 COT 0.737931 0.944444
93 CA3 0.727891 0.944444
94 UCA 0.721854 0.988764
95 CO7 0.713235 0.966292
96 CA5 0.703947 0.904255
97 93P 0.699346 0.934066
98 COD 0.692913 0.954545
99 93M 0.666667 0.934066
100 4BN 0.656627 0.946237
101 5TW 0.656627 0.946237
102 OXT 0.634731 0.946237
103 HMG 0.62585 0.933333
104 PLM COA 0.61745 0.955556
105 COA PLM 0.61745 0.955556
106 JBT 0.609195 0.926316
107 BSJ 0.594118 0.913979
108 PAP 0.577586 0.784091
109 ASP ASP ASP ILE CMC NH2 0.557576 0.902174
110 PPS 0.53719 0.729167
111 191 0.532895 0.877551
112 RFC 0.53125 0.966667
113 SFC 0.53125 0.966667
114 A3P 0.525862 0.772727
115 ACE SER ASP ALY THR NH2 COA 0.511111 0.923077
116 0WD 0.503497 0.763441
117 PTJ 0.462687 0.842697
118 3AM 0.461538 0.761364
119 3OD 0.451852 0.797753
120 A22 0.450382 0.786517
121 PUA 0.447368 0.793478
122 A2D 0.446281 0.775281
123 PAJ 0.443609 0.853933
124 SAP 0.440945 0.8
125 ATR 0.440945 0.772727
126 AGS 0.440945 0.8
127 OAD 0.437037 0.797753
128 ADP 0.435484 0.795455
129 A2R 0.431818 0.786517
130 BA3 0.427419 0.775281
131 NA7 0.426471 0.829545
132 9X8 0.426471 0.8
133 HEJ 0.425197 0.795455
134 ATP 0.425197 0.795455
135 B4P 0.424 0.775281
136 AP5 0.424 0.775281
137 ADQ 0.422222 0.777778
138 AQP 0.421875 0.795455
139 AR6 0.421875 0.775281
140 5FA 0.421875 0.795455
141 2A5 0.421875 0.818182
142 APR 0.421875 0.775281
143 48N 0.42069 0.802198
144 AN2 0.420635 0.786517
145 FYA 0.42029 0.786517
146 M33 0.417323 0.786517
147 SRP 0.413534 0.808989
148 ANP 0.412214 0.777778
149 YLB 0.412162 0.877778
150 FA5 0.411348 0.788889
151 YLP 0.410959 0.877778
152 ME8 0.410072 0.835165
153 AT4 0.409449 0.808989
154 APU 0.409396 0.76087
155 5AL 0.409091 0.786517
156 7D3 0.408 0.766667
157 F2R 0.407895 0.836957
158 NJP 0.407895 0.78022
159 AD9 0.407692 0.777778
160 25L 0.407143 0.786517
161 7D4 0.40625 0.766667
162 CA0 0.40625 0.777778
163 ATF 0.406015 0.769231
164 A A A 0.405797 0.786517
165 A2P 0.404762 0.761364
166 9ZA 0.404412 0.791209
167 8QN 0.404412 0.786517
168 9ZD 0.404412 0.791209
169 LAQ 0.40411 0.815217
170 NDP 0.403974 0.763441
171 ACP 0.403101 0.797753
172 ACQ 0.401515 0.797753
173 YAP 0.401408 0.78022
174 ATP A A A 0.401408 0.744444
175 TXA 0.4 0.788889
176 NB8 0.4 0.782609
177 PAX 0.4 0.768421
178 1ZZ 0.4 0.855556
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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1P0H; Ligand: ACO; Similar sites found with APoc: 208
This union binding pocket(no: 1) in the query (biounit: 1p0h.bio1) has 61 residues
No: Leader PDB Ligand Sequence Similarity
1 5JPH COA None
2 4UA3 COA None
3 2WOR 2AN None
4 1M2Z BOG None
5 3KPE TM3 None
6 3BQD DAY None
7 1I1D COA None
8 1I1D 16G None
9 3MHP FAD 1.01351
10 4DE3 DN8 1.14068
11 3CZ7 ACO 1.25786
12 2PZE ATP 1.31004
13 2PX6 DH9 1.58228
14 5UNJ RJW 1.63265
15 5M37 9SZ 1.73913
16 5M36 9SZ 1.74672
17 1T5C ADP 1.88679
18 2IL4 COA 1.94175
19 2CBZ ATP 2.1097
20 1FX8 BOG 2.13523
21 3BIY 01K 2.20126
22 5OSW AE4 2.20126
23 2AWN ADP 2.20126
24 5EE7 5MV 2.20126
25 3EC1 GDP 2.20126
26 1XMV ADP 2.20126
27 5XQL C2E 2.4055
28 5UC1 486 2.7027
29 5W8E ADE 2.71493
30 5W8E SXZ 2.71493
31 1G6H ADP 2.72374
32 1TMX HGX 2.73038
33 2CFA FAD 2.76498
34 6BR8 6OU 2.77778
35 4PPF FLC 2.83019
36 2HHP FLC 2.83019
37 2E9L PLM 2.83019
38 3RC3 ANP 2.83019
39 1YQT ADP 2.83019
40 5ZKC 3C0 2.83019
41 4NTO 1PW 2.89855
42 1XVB 3BR 2.94118
43 1XVB BHL 2.94118
44 5GVR LMR 2.99145
45 4FOJ C2E 3.0303
46 6C1R EFD 3.08057
47 6EDV COA 3.09278
48 4WZ6 ATP 3.10345
49 4V3I ASP LEU THR ARG PRO 3.11284
50 1BOB ACO 3.14465
51 2YNC YNC 3.14465
52 1TV5 N8E 3.14465
53 5YV5 ADP 3.14465
54 4RI1 ACO 3.22581
55 3B6C SDN 3.4188
56 2TOH HBI 3.45912
57 2OG2 MLI 3.45912
58 2ZR9 DTP 3.45912
59 2W58 ADP 3.46535
60 3B9Q MLI 3.64238
61 4NSQ COA 3.68421
62 3SXN COA 3.77358
63 4LOC OXM 3.77358
64 1XP8 AGS 3.77358
65 2Y65 ADP 3.77358
66 3W54 RNB 3.77358
67 4XCP PLM 4.11765
68 5NM7 GLY 4.13534
69 1CM0 COA 4.16667
70 5LX9 OLB 4.22535
71 1QSR ACO 4.32099
72 1Q2D COA 4.32099
73 1QSN COA 4.32099
74 1Q2C COA 4.32099
75 5TVI MYR 4.34783
76 4YJ1 ADP 4.40252
77 4ZBR NPS 4.40252
78 1V0C KNC 4.45545
79 1V0C ACO 4.45545
80 2B99 RDL 4.48718
81 3AQT RCO 4.4898
82 5U83 ZN8 4.71698
83 5L2R MLA 4.71698
84 1R6N 434 4.73934
85 2BHW NEX 4.74138
86 5EY0 GTP 4.74453
87 5OCA 9QZ 4.7619
88 3R96 ACO 4.78723
89 3R96 AMP 4.78723
90 5V13 JH3 4.86111
91 1U0J ADP 4.86891
92 3EYK EYK 5.03145
93 2O1V ADP 5.03145
94 2GWH PCI 5.03356
95 2VZZ SCA 5.04587
96 2BJ4 OHT 5.15873
97 4WQ2 3SU 5.20231
98 2B4D COA 5.26316
99 2B4B COA 5.26316
100 1IYK MYA 5.34591
101 3E70 GDP 5.34591
102 3B5J 12D 5.34979
103 3GD8 GOL 5.38117
104 1JJ7 ADP 5.38462
105 4E1M TQ2 5.42169
106 4I67 G G G RPC 5.74713
107 4KVX ACO 5.76923
108 1NF8 BOG 5.7971
109 5KTC FUH 5.85106
110 5KTC COA 5.85106
111 1QSM ACO 5.92105
112 4V36 LYN 5.97484
113 4G86 BNT 5.98592
114 2D2F ADP 6
115 1DKF BMS 6.00858
116 3TE4 ACO 6.04651
117 5I8F ML1 6.06061
118 1YRE COA 6.09137
119 4KFU ACP 6.13208
120 4R2I ANP 6.19048
121 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.27615
122 4U9W COA 6.28019
123 1XX6 ADP 6.28272
124 3TDC 0EU 6.28931
125 5W7B MYR 6.28931
126 4MAF ADX 6.28931
127 6F5W KG1 6.28931
128 4RW3 TDA 6.29139
129 2JEV NHQ 6.32184
130 1L0I PSR 6.41026
131 2Q4V ACO 6.47059
132 3LN9 FLC 6.47482
133 4H6U ACO 6.5
134 1JGS SAL 6.52174
135 1ZED PNP 6.60377
136 4U8P UDP 6.60377
137 4WOH 4NP 6.62651
138 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.80272
139 2CDN ADP 6.96517
140 4B5P ACO 7
141 2PRG BRL 7.01107
142 5H86 BCO 7.14286
143 1IID NHM 7.2327
144 6BA2 7KM 7.45763
145 5URY PAM 7.53425
146 1H6H PIB 7.69231
147 1KUV CA5 7.72947
148 3D2M COA 7.86164
149 3TO7 COA 7.97101
150 5E5U MLI 8.0402
151 2Y69 CHD 8.13953
152 6CS8 F9Y 8.25082
153 2WPX ACO 8.25959
154 2WPW ACO 8.25959
155 1M4I COA 8.28729
156 1M4I KAN 8.28729
157 1M4I PAP 8.28729
158 5XXS COA 8.33333
159 2ZFN ACO 8.49057
160 1G8S MET 8.69565
161 5Z84 CHD 8.92857
162 1RRC ADP 8.9701
163 1GHE ACO 9.03955
164 5V4R MGT 9.25926
165 2ZPA ACO 9.43396
166 4PSW COA 9.74843
167 2UW1 GVM 9.74843
168 2VWA PTY 9.90099
169 1KC7 PPR 10.0629
170 2DPY ADP 10.0629
171 5GK9 ACO 10.1449
172 3N7S 3N7 10.4348
173 3KC1 2T6 11.0063
174 6BMS POV 11.3208
175 4U00 ADP 11.4754
176 5HGZ ACO 11.5226
177 1N71 COA 11.6667
178 3W5J GDP 11.7647
179 1GXU 2HP 12.0879
180 4AG9 COA 12.1212
181 1DTL BEP 12.4224
182 4K30 NLG 12.5
183 1S7N COA 12.6374
184 4RYV ZEA 12.9032
185 1NU4 MLA 13.4021
186 1HBK MYR 13.4831
187 5TVJ COA 13.8365
188 5TVJ 7LF 13.8365
189 4CRZ ACO 13.8686
190 5CHR 4NC 13.8686
191 5HH0 COA 14
192 4OGQ SQD 14.1509
193 4OGQ 7PH 14.1509
194 5YGE GLU 14.9425
195 5YGE ACO 14.9425
196 5K04 COA 15.2941
197 6GD6 EVB 15.7407
198 4UUJ XA7 16.2162
199 5LS7 ACO 17.0732
200 4QC6 30N 17.8771
201 4R3L COA 18.4971
202 4C2X NHW 18.8679
203 4YSX E23 19.6809
204 2VBQ BSJ 25.4545
205 2CNT COA 27.5
206 4HBM 0Y7 30
207 1WWZ ACO 35.2201
208 1YRX FMN 45.4545
Pocket No.: 2; Query (leader) PDB : 1P0H; Ligand: COA; Similar sites found with APoc: 170
This union binding pocket(no: 2) in the query (biounit: 1p0h.bio1) has 60 residues
No: Leader PDB Ligand Sequence Similarity
1 5JPH COA None
2 4UA3 COA None
3 2WOR 2AN None
4 3KPE TM3 None
5 1I1D COA None
6 1I1D 16G None
7 1UO4 PIH None
8 4DE3 DN8 1.14068
9 3CZ7 ACO 1.25786
10 2PZE ATP 1.31004
11 5M36 9SZ 1.74672
12 1T5C ADP 1.88679
13 2IL4 COA 1.94175
14 2CBZ ATP 2.1097
15 1FX8 BOG 2.13523
16 3BIY 01K 2.20126
17 2AWN ADP 2.20126
18 5EE7 5MV 2.20126
19 3EC1 GDP 2.20126
20 5OSW AE4 2.20126
21 1XMV ADP 2.20126
22 5XQL C2E 2.4055
23 3P2H NOO 2.48756
24 5W8E ADE 2.71493
25 5W8E SXZ 2.71493
26 1G6H ADP 2.72374
27 1TMX HGX 2.73038
28 4PPF FLC 2.83019
29 2HHP FLC 2.83019
30 3RC3 ANP 2.83019
31 1YQT ADP 2.83019
32 4NTO 1PW 2.89855
33 5GVR LMR 2.99145
34 6EDV COA 3.09278
35 4WZ6 ATP 3.10345
36 4V3I ASP LEU THR ARG PRO 3.11284
37 1BOB ACO 3.14465
38 2YNC YNC 3.14465
39 1BRW URA 3.14465
40 1TV5 N8E 3.14465
41 5YV5 ADP 3.14465
42 4RI1 ACO 3.22581
43 3B6C SDN 3.4188
44 2TOH HBI 3.45912
45 2OG2 MLI 3.45912
46 2ZR9 DTP 3.45912
47 2W58 ADP 3.46535
48 3B9Q MLI 3.64238
49 4NSQ COA 3.68421
50 3SXN COA 3.77358
51 1XP8 AGS 3.77358
52 2Y65 ADP 3.77358
53 5NM7 GLY 4.13534
54 1CM0 COA 4.16667
55 5LX9 OLB 4.22535
56 1QSR ACO 4.32099
57 1Q2D COA 4.32099
58 1QSN COA 4.32099
59 1Q2C COA 4.32099
60 4YJ1 ADP 4.40252
61 4ZBR NPS 4.40252
62 1V0C KNC 4.45545
63 1V0C ACO 4.45545
64 2B99 RDL 4.48718
65 5U83 ZN8 4.71698
66 5L2R MLA 4.71698
67 2BHW NEX 4.74138
68 3R96 AMP 4.78723
69 3R96 ACO 4.78723
70 1U0J ADP 4.86891
71 3EYK EYK 5.03145
72 2O1V ADP 5.03145
73 2VZZ SCA 5.04587
74 4WQ2 3SU 5.20231
75 2B4D COA 5.26316
76 2B4B COA 5.26316
77 1IYK MYA 5.34591
78 3B5J 12D 5.34979
79 3GD8 GOL 5.38117
80 1JJ7 ADP 5.38462
81 4I67 G G G RPC 5.74713
82 4KVX ACO 5.76923
83 1NF8 BOG 5.7971
84 5KTC COA 5.85106
85 5KTC FUH 5.85106
86 1QSM ACO 5.92105
87 4V36 LYN 5.97484
88 4G86 BNT 5.98592
89 2D2F ADP 6
90 3TE4 ACO 6.04651
91 5I8F ML1 6.06061
92 1YRE COA 6.09137
93 4KFU ACP 6.13208
94 4R2I ANP 6.19048
95 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.27615
96 4U9W COA 6.28019
97 1XX6 ADP 6.28272
98 3TDC 0EU 6.28931
99 4MAF ADX 6.28931
100 6F5W KG1 6.28931
101 4RW3 TDA 6.29139
102 2JEV NHQ 6.32184
103 2Q4V ACO 6.47059
104 3LN9 FLC 6.47482
105 4H6U ACO 6.5
106 1JGS SAL 6.52174
107 1ZED PNP 6.60377
108 4U8P UDP 6.60377
109 4WOH 4NP 6.62651
110 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 6.80272
111 1RJW ETF 6.91824
112 2CDN ADP 6.96517
113 4B5P ACO 7
114 5H86 BCO 7.14286
115 1IID NHM 7.2327
116 6BA2 7KM 7.45763
117 5URY PAM 7.53425
118 1MID LAP 7.69231
119 1H6H PIB 7.69231
120 1KUV CA5 7.72947
121 3D2M COA 7.86164
122 3TO7 COA 7.97101
123 5E5U MLI 8.0402
124 6CS8 F9Y 8.25082
125 2WPX ACO 8.25959
126 2WPW ACO 8.25959
127 1M4I COA 8.28729
128 1M4I KAN 8.28729
129 1M4I PAP 8.28729
130 5XXS COA 8.33333
131 2ZFN ACO 8.49057
132 1G8S MET 8.69565
133 5Z84 CHD 8.92857
134 1RRC ADP 8.9701
135 1GHE ACO 9.03955
136 2ZPA ACO 9.43396
137 4PSW COA 9.74843
138 2UW1 GVM 9.74843
139 2VWA PTY 9.90099
140 2DPY ADP 10.0629
141 5GK9 ACO 10.1449
142 3N7S 3N7 10.4348
143 6BMS POV 11.3208
144 4U00 ADP 11.4754
145 5HGZ ACO 11.5226
146 1N71 COA 11.6667
147 3W5J GDP 11.7647
148 1GXU 2HP 12.0879
149 4AG9 COA 12.1212
150 4K30 NLG 12.5
151 1S7N COA 12.6374
152 1NU4 MLA 13.4021
153 5TVJ COA 13.8365
154 5TVJ 7LF 13.8365
155 4CRZ ACO 13.8686
156 5HH0 COA 14
157 4OGQ 7PH 14.1509
158 5YGE ACO 14.9425
159 5YGE GLU 14.9425
160 5K04 COA 15.2941
161 6GD6 EVB 15.7407
162 4UUJ XA7 16.2162
163 5LS7 ACO 17.0732
164 4QC6 30N 17.8771
165 4R3L COA 18.4971
166 4C2X NHW 18.8679
167 2VBQ BSJ 25.4545
168 2CNT COA 27.5
169 1WWZ ACO 35.2201
170 1YRX FMN 45.4545
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