MolNFT v1 · #63654 · protein

Crystal structure determination of a ternary complex of phospholipase A2 with a pentapetide flsyk and ajmaline at 2.5 a resolution

3FG5 · Group II phospholipase A2: “Crystal structure determination of a ternary complex of phospholipase A2 with a pentapetide flsyk and…”. X-ray diffraction, 1 ligand (AJM), 1 pocket (best druggability 0.29). MolNFT v1 #63654 on…

PDB: 3FG5
Type: protein
Length: 126 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Group II phospholipase A2; Pentapetide flsyk
EC: 3.1.1.4
Ligands: AJM
Pockets: 1 · best druggability 0.29

Structure

x-ray diffraction · 2 distinct chains · 46% helix, 10% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Group II phospholipase A2 (EC 3.1.1.4)	protein	121	48% helix, 11% strand	—
C	Pentapetide flsyk	protein	5	0% helix, 0% strand	—

Ligands and binding sites

AJM · Ajmaline · 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	55	0.29	0.75	16	empty

Interfaces

1 interface between chains.

A–C · 512 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

3FG5 · Crystal structure determination of a ternary complex of phospholipase A2 with a… · 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 3FG5 · PDBe 3FG5

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