MolNFT v2 · #63920 · protein

Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed with indomethacin at 1.4 A resolution reveals the presence of the new common ligand binding site

3FO7 · Phospholipase A2 VRV-PL-VIIIa: “Simultaneous inhibition of anti-coagulation and inflammation: Crystal structure of phospholipase A2 complexed…”. X-ray diffraction at 1.4, 2 ligands (IMN, SO4), 1 pocket (best druggability 0.51).…

PDB: 3FO7
Type: protein
Length: 121 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.4
Source: Daboia russelli pulchella
Molecule: Phospholipase A2 VRV-PL-VIIIa
EC: 3.1.1.4
Ligands: IMN, SO4
Pockets: 1 · best druggability 0.51

Structure

x-ray diffraction · resolution 1.4 · 1 distinct chain · 48% helix, 8% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phospholipase A2 VRV-PL-VIIIa (EC 3.1.1.4)	protein	121	48% helix, 8% strand	—

Ligands and binding sites

IMN · Indomethacin · ligand · chains A
SO4 · Sulfate ion · ion · 4 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	153	0.51	0.79	21	IMN

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

3FO7 · Simultaneous inhibition of anti-coagulation and inflammation: crystal structure of… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Elsewhere: RCSB PDB 3FO7 · PDBe 3FO7

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