MolNFT v1 · #90424 · protein

Structural studies of the ternary complex of phaspholipase A2 with nimesulide and indomethacin

4EIX · Phospholipase A2 vrv-pl-viiia: “Structural studies of the ternary complex of phaspholipase A2 with nimesulide and indomethacin”. X-ray diffraction, 3 ligands (NIM, IMN, CCN), 1 pocket (best druggability 0.48). MolNFT v1 #90424 on…

PDB: 4EIX
Type: protein
Length: 121 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phospholipase A2 vrv-pl-viiia
EC: 3.1.1.4
UniProt: D0VX11
Ligands: NIM, IMN, CCN
Pockets: 1 · best druggability 0.48

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Phospholipase A2 vrv-pl-viiia (EC 3.1.1.4)	protein	121	47% helix, 7% strand	D0VX11

Ligands and binding sites

NIM · 4-nitro-2-phenoxymethanesulfonanilide · ligand · chains A
IMN · Indomethacin · ligand · chains A
CCN · Acetonitrile · ligand · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	130	0.48	0.78	18	empty

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

4EIX · Structural Studies of the ternary complex of Phaspholipase A2 with nimesulide and… · 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
Every structure of UniProt D0VX11
Elsewhere: RCSB PDB 4EIX · PDBe 4EIX · UniProt D0VX11

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