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Receptor
PDB id Resolution Class Description Source Keywords
3M0J 1.55 Å EC: 3.7.1.1 STRUCTURE OF OXALOACETATE ACETYLHYDROLASE IN COMPLEX WITH TH INHIBITOR 3,3-DIFLUOROOXALACETATE CRYPHONECTRIA PARASITICA (ALPHA/BETA)8 BARREL HYDROLASE
Ref.: STRUCTURE OF OXALACETATE ACETYLHYDROLASE, A VIRULEN OF THE CHESTNUT BLIGHT FUNGUS. J.BIOL.CHEM. V. 285 26685 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:503;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MN A:502;
Part of Protein;
none;
submit data
54.938 Mn [Mn+2...
OAF A:501;
Valid;
none;
submit data
186.068 C4 H4 F2 O6 C(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3M0J 1.55 Å EC: 3.7.1.1 STRUCTURE OF OXALOACETATE ACETYLHYDROLASE IN COMPLEX WITH TH INHIBITOR 3,3-DIFLUOROOXALACETATE CRYPHONECTRIA PARASITICA (ALPHA/BETA)8 BARREL HYDROLASE
Ref.: STRUCTURE OF OXALACETATE ACETYLHYDROLASE, A VIRULEN OF THE CHESTNUT BLIGHT FUNGUS. J.BIOL.CHEM. V. 285 26685 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3M0K - OXL C2 O4 C(=O)(C(=O....
2 3M0J - OAF C4 H4 F2 O6 C(=O)(C(C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3M0K - OXL C2 O4 C(=O)(C(=O....
2 3M0J - OAF C4 H4 F2 O6 C(=O)(C(C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3M0K - OXL C2 O4 C(=O)(C(=O....
2 3M0J - OAF C4 H4 F2 O6 C(=O)(C(C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OAF; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OAF 1 1
2 BFM 0.454545 0.75
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3M0J; Ligand: OAF; Similar sites found with APoc: 61
This union binding pocket(no: 1) in the query (biounit: 3m0j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5UR6 8KM None
2 2AJ4 ANP 1.30293
3 1LTH NAD 1.30293
4 3JU6 ARG 1.62866
5 5W71 PLP 1.9544
6 3G5S FAD 1.9544
7 4KXL 6C6 1.97368
8 1OYF MHN 2.47934
9 2V2G BEZ 2.57511
10 5K0A FAD 2.60586
11 5MB4 NAG 2.60586
12 2Q7V FAD 2.9316
13 1F0X FAD 2.9316
14 2X5W K2B 3.25733
15 1OFZ FUL 3.25733
16 1OFZ FUC 3.25733
17 5UY8 AMZ 3.25733
18 2HIM ASN 3.25733
19 2O07 MTA 3.28947
20 2O07 SPD 3.28947
21 4OUE IPT 3.58306
22 5W70 9YM 3.58306
23 4LA7 A1O 3.58306
24 2ZMF CMP 3.7037
25 3GF4 UPG 3.90879
26 3GF4 FAD 3.90879
27 2GMH FAD 3.90879
28 6G34 5ID 3.90879
29 6CAY ERG 4.14201
30 3T58 FAD 4.23453
31 4MDH NAD 4.23453
32 2P53 NNG 4.23453
33 3HRD MCN 4.375
34 5NXX 3Q7 4.47761
35 4JB1 NAP 4.56026
36 1PZL MYR 4.64135
37 5EZ1 ICB 4.69314
38 3FS1 MYR 4.78261
39 3JRS A8S 4.80769
40 2ZKJ ADP 4.88599
41 6BYM HC3 4.92611
42 6C9B EGV 5.53746
43 2QS8 MET 5.86319
44 5WBF LAC 5.92593
45 5K8B PDG 6.51466
46 1G8S MET 6.95652
47 4MSG 2C6 7.37327
48 4N02 FNR 8.40336
49 1GZ4 ATP 8.46906
50 2Z6C FMN 13.9535
51 5E9G GLV 18.241
52 2BOI MFU 19.469
53 1IGW PYR 28.9902
54 2ZE3 AKG 29.4545
55 6C4A PYR 29.6417
56 5E9H MLI 31.5961
57 3B8I OXL 40.7666
58 1O5Q PYR 41.3115
59 1XG4 ICT 43.7288
60 2DUA OXL 43.7931
61 1M1B SPV 46.1017
Pocket No.: 2; Query (leader) PDB : 3M0J; Ligand: OAF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3m0j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3M0J; Ligand: OAF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3m0j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3M0J; Ligand: OAF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3m0j.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
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