Receptor
PDB id Resolution Class Description Source Keywords
2WG9 2 Å EC: 3.1.1.4 STRUCTURE OF ORYZA SATIVA (RICE) PLA2, COMPLEX WITH OCTANOIC ORYZA SATIVA HYDROLASE SECRETORY PLA2
Ref.: CRYSTAL STRUCTURE OF A CLASS XIB PHOSPHOLIPASE A2 ( RICE (ORYZA SATIVA) ISOFORM-2 PLA2 AND AN OCTANOATE J.BIOL.CHEM. V. 284 19371 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:201;
B:201;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
NA B:1126;
Part of Protein;
none;
submit data
22.99 Na [Na+]
OCA A:301;
B:301;
Valid;
Valid;
none;
none;
submit data
144.211 C8 H16 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2WG9 2 Å EC: 3.1.1.4 STRUCTURE OF ORYZA SATIVA (RICE) PLA2, COMPLEX WITH OCTANOIC ORYZA SATIVA HYDROLASE SECRETORY PLA2
Ref.: CRYSTAL STRUCTURE OF A CLASS XIB PHOSPHOLIPASE A2 ( RICE (ORYZA SATIVA) ISOFORM-2 PLA2 AND AN OCTANOATE J.BIOL.CHEM. V. 284 19371 2009
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 17 families.
1 2WG9 - OCA C8 H16 O2 CCCCCCCC(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2WG9 - OCA C8 H16 O2 CCCCCCCC(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2WG9 - OCA C8 H16 O2 CCCCCCCC(=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OCA; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 OCA 1 1
2 X90 0.956522 1
3 DCR 0.956522 1
4 EW8 0.956522 1
5 F15 0.956522 1
6 MYR 0.956522 1
7 DAO 0.956522 1
8 TDA 0.956522 1
9 STE 0.956522 1
10 DKA 0.956522 1
11 11A 0.956522 1
12 KNA 0.956522 1
13 PLM 0.956522 1
14 F23 0.956522 1
15 SHV 0.869565 0.952381
16 KTC 0.758621 0.875
17 6NA 0.75 0.904762
18 AZ1 0.695652 0.64
19 NER 0.6875 0.954545
20 OLA 0.6875 0.954545
21 ELA 0.6875 0.954545
22 PML 0.652174 0.6
23 VCA 0.636364 0.954545
24 PAM 0.636364 0.954545
25 LEA 0.625 0.809524
26 3LA 0.575758 0.8
27 MYZ 0.558824 0.909091
28 12H 0.551724 0.615385
29 ODD 0.540541 0.913043
30 BRC 0.533333 0.666667
31 14V 0.527778 0.740741
32 M12 0.515152 0.869565
33 14U 0.514286 0.703704
34 EIC 0.512821 0.913043
35 EOD 0.512821 0.7
36 BUA 0.5 0.666667
37 BNV 0.472222 0.954545
38 BMJ 0.472222 0.954545
39 D0G 0.472222 0.954545
40 9J6 0.454545 0.666667
41 OOA 0.454545 0.76
42 RCL 0.446809 0.84
43 5UF 0.444444 0.807692
44 HXD 0.432432 0.807692
45 FTT 0.432432 0.807692
46 56S 0.432432 0.653846
47 ODT 0.428571 0.782609
48 LNL 0.418605 0.826087
49 3X1 0.416667 0.818182
50 CNS 0.410256 0.68
51 6UL 0.410256 0.68
52 CUY 0.410256 0.68
53 243 0.408163 0.807692
54 HOC 0.4 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2WG9; Ligand: OCA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2wg9.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2WG9; Ligand: OCA; 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: 2wg9.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
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