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Receptor
PDB id Resolution Class Description Source Keywords
2V1O 1.78 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF ACYL-COA THIOESTERASE 7 MUS MUSCULUS HYDROLASE ACYL-COA THIOESTERASE 7 SERINE ESTERASE PROTEINSTRUCTURE DOMAIN DUPLICATION ACOT7 MACROPHAGE HOTDOG DO
Ref.: STRUCTURAL BASIS FOR RECRUITMENT OF TANDEM HOTDOG D IN ACYL-COA THIOESTERASE 7 AND ITS ROLE IN INFLAMMA PROC.NATL.ACAD.SCI.USA V. 104 10382 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
COA A:1162;
B:1162;
C:1162;
D:1162;
E:1162;
F:1162;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
submit data
767.534 C21 H36 N7 O16 P3 S CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2V1O 1.78 Å EC: 3.-.-.- CRYSTAL STRUCTURE OF N-TERMINAL DOMAIN OF ACYL-COA THIOESTERASE 7 MUS MUSCULUS HYDROLASE ACYL-COA THIOESTERASE 7 SERINE ESTERASE PROTEINSTRUCTURE DOMAIN DUPLICATION ACOT7 MACROPHAGE HOTDOG DO
Ref.: STRUCTURAL BASIS FOR RECRUITMENT OF TANDEM HOTDOG D IN ACYL-COA THIOESTERASE 7 AND ITS ROLE IN INFLAMMA PROC.NATL.ACAD.SCI.USA V. 104 10382 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 253 families.
1 2V1O - 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 209 families.
1 2V1O - 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 173 families.
1 2V1O - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; 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 : 2V1O; Ligand: COA; Similar sites found with APoc: 108
This union binding pocket(no: 1) in the query (biounit: 2v1o.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 4CS9 AMP None
2 3AQT RCO None
3 1NU4 MLA None
4 1PTR PRB None
5 2WQ4 SFU None
6 1ZEI CRS None
7 4JWK CTN None
8 3NJQ NJQ None
9 5C8W PCG None
10 5KK4 44E None
11 5BV6 35G None
12 4CQK PIO None
13 2J73 GLC GLC GLC None
14 5MJA 7O3 None
15 4DDY DN6 None
16 3P7G MAN None
17 4M20 COA None
18 5OLK DTP 1.3245
19 4HZO COA 1.98676
20 1ELI PYC 1.98676
21 6BR8 PGV 1.98676
22 6BR9 PGV 2.22841
23 5JBE MAL 2.64901
24 4XJ6 GH3 2.64901
25 3CBC DBS 2.64901
26 3NBC LAT 2.7027
27 1LO8 4CA 2.83688
28 4OWK NGA 2.89855
29 3KLL MAL 3.31126
30 4MGA 27L 3.31126
31 5ISY NAD 3.31126
32 5NJI 8Z2 3.31126
33 2BS5 BGC GAL FUC 3.33333
34 3ZW2 NAG GAL FUC 3.44828
35 3ZW2 GLA NAG GAL FUC 3.44828
36 4CVN ADP 3.64964
37 3CF6 SP1 3.97351
38 5D63 FUC GLA GLA 3.97351
39 4LZB URA 3.97351
40 1NXJ TLA 3.97351
41 5D63 FUC GAL GLA 3.97351
42 4BHL ARG 3.97351
43 4R4U COA 4.63576
44 5KJW 53C 4.63576
45 6EK3 OUL 4.63576
46 5YJS SAL 4.63576
47 3HPY MCT 4.63576
48 4G9N NGA 4.8951
49 2OFE NAG 4.92958
50 3N7S 3N7 5.20833
51 4O4Z N2O 5.29801
52 5EO8 TFU 5.29801
53 1H8S AIC 5.29801
54 1OBD ATP 5.29801
55 1J78 OLA 5.29801
56 2R0D 4IP 5.29801
57 2BVE PH5 5.88235
58 3KP6 SAL 5.96026
59 5C9P FUC 5.96026
60 5MUA GAL 5.96026
61 4URX FK1 5.96026
62 3LL5 IP8 5.96026
63 5T8U LPA 5.96026
64 1GPJ CIT 5.96026
65 3SHR CMP 5.96026
66 3RWP ABQ 6.62252
67 3AB4 THR 6.62252
68 2P3V SRT 6.62252
69 4F06 PHB 6.62252
70 1H0A I3P 6.62252
71 2ZQO NGA 6.92308
72 1B4U DHB 7.19424
73 4RW3 PLM 7.28477
74 2D24 XYS XYS 7.28477
75 1ZOY UQ1 7.28477
76 3H9R TAK 7.33945
77 3BPX SAL 7.43243
78 3E7S AT2 7.94702
79 4D4U FUC NDG GAL FUC 7.94702
80 3U1T MLI 7.94702
81 4AML GYU 7.94702
82 5IM3 DTP 7.94702
83 4K4D HFQ 8.0292
84 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 8.19672
85 5N1X 8HH 8.47458
86 4XBA GMP 8.60927
87 4I90 CHT 8.60927
88 4ZRB COA 8.75912
89 1LSH PLD 9.27152
90 4KAX 4IP 9.27152
91 5B09 4MX 9.61539
92 4MZQ 1VU 9.72222
93 3W5N RAM 9.93377
94 2PEL LBT 9.93377
95 4GAH 0ET 10.596
96 1I1E DM2 11.9205
97 1M0W ANP 11.9205
98 4CT7 TRP 12.5828
99 1I0B PEL 13.9073
100 4WNB 4BN 13.9535
101 4NZ6 DLY 15.2318
102 2CYE COA 15.7895
103 3R35 4CO 15.894
104 2RDK MAN MAN 17.4312
105 1PN4 HDC 23.8411
106 3BJK CIT 27.1523
107 4MOB COA 34.4371
108 1VPM COA 44.3709
Pocket No.: 2; Query (leader) PDB : 2V1O; Ligand: COA; Similar sites found with APoc: 26
This union binding pocket(no: 2) in the query (biounit: 2v1o.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2OVD DAO None
2 5KAX RHQ None
3 6F7X MFU 2.22222
4 2HKA C3S 3.07692
5 1SDW IYT 3.31126
6 5O5Y GLC 4.63576
7 5BWD FUM 4.63576
8 4OYA 1VE 5.29801
9 5WS9 OXL 5.29801
10 2HK9 SKM 5.29801
11 2VYT MLZ 5.96026
12 1RJW ETF 7.28477
13 1MJT ITU 7.94702
14 2JHP SAH 7.94702
15 1NX0 ALA LYS ALA ILE ALA 8.60927
16 3WCZ CIT 8.60927
17 3AJ6 NGA 9.27152
18 3HMO STU 9.27152
19 1I1Q TRP 10.596
20 1FHX 4IP 10.8527
21 4K49 HFQ 12.5
22 5BRP PNG 13.245
23 5L8L ADP 16.5563
24 1OFZ FUC 17.2185
25 4LO2 GAL BGC 21.7687
26 5H9Y BGC BGC BGC BGC BGC 27.1523
Pocket No.: 3; Query (leader) PDB : 2V1O; Ligand: COA; Similar sites found with APoc: 17
This union binding pocket(no: 3) in the query (biounit: 2v1o.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5HZ9 5M8 None
2 4DOO DAO 1.3245
3 4CSD MFU 1.98676
4 4JX1 CAH 2.64901
5 1S68 AMP 2.64901
6 3ZW0 FUC 3.44828
7 1YVZ JPC 3.97351
8 1A8S PPI 3.97351
9 5UFF 8B7 3.97351
10 1VBO MAN MAN MAN 4.69799
11 5XQL C2E 6.62252
12 5BVE 4VG 6.62252
13 1Y7P RIP 7.28477
14 3EYK EYK 7.94702
15 5Z84 CHD 11.9205
16 5C9J DAO 13.1313
17 1U29 I3P 13.9535
Pocket No.: 4; Query (leader) PDB : 2V1O; Ligand: COA; Similar sites found with APoc: 17
This union binding pocket(no: 4) in the query (biounit: 2v1o.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 5F6U 5VK None
2 5TVI MYR None
3 2WCU FUC None
4 2FUE M1P 1.98676
5 5XK9 DMA 1.98676
6 5IDB BMA 2.11268
7 5CX8 TG6 2.64901
8 3GFS FMN 3.31126
9 3HQP OXL 3.31126
10 5ZYN FMN 4.63576
11 4Y0X ADP 4.63576
12 4NAE 1GP 7.28477
13 4M7T 25W 7.94702
14 2BP1 FLC 8.60927
15 2R09 4IP 8.60927
16 4FE2 AIR 9.27152
17 2GWH PCI 10.596
Pocket No.: 5; Query (leader) PDB : 2V1O; Ligand: COA; Similar sites found with APoc: 24
This union binding pocket(no: 5) in the query (biounit: 2v1o.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3RV5 DXC None
2 5FIT AP2 None
3 2CIX CEJ None
4 5XNA SHV 2.17391
5 3E3U NVC 2.64901
6 3AI3 SOE 3.31126
7 5J32 IPM 3.97351
8 1LOJ U 4.5977
9 6F5W KG1 4.63576
10 3B12 FAH 5.29801
11 2WEL K88 5.29801
12 4ZGR NGA GAL 5.74713
13 5FII PHE 7.84314
14 4D52 GIV 7.94702
15 4D4U FUC GAL NAG 7.94702
16 5AIP 4HP 8.21918
17 4XBA 5GP 8.60927
18 3WUC GLC GAL 8.75912
19 1T0S BML 10.4651
20 3QH2 3NM 10.596
21 5D9G GLU ASN LEU TYR PHE GLN 12.5828
22 1WD4 AHR 13.245
23 6B9R 2HE 21.1921
24 4MOB ADP 34.4371
Pocket No.: 6; Query (leader) PDB : 2V1O; Ligand: COA; Similar sites found with APoc: 12
This union binding pocket(no: 6) in the query (biounit: 2v1o.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 2PIE GLU LEU LYS TPO GLU ARG TYR None
2 6GNO XDI None
3 2QHS OCA None
4 1FAO 4IP None
5 3UDG TMP 1.3245
6 1GPM AMP 5.96026
7 6A6A DAL 7.28477
8 4KRG OPE 7.28477
9 3CQ5 PMP 7.28477
10 1HBK COA 7.86517
11 1Y2W NAG 13.3803
12 1WN3 HXC 30.8824
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