MolNFT v1 · #47165 · protein

Crystal structure of bthtx-II

2OQD · Phospholipase A2: “Crystal structure of bthtx-II”. X-ray diffraction, 3 pockets (best druggability 0.43). MolNFT v1 #47165 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2OQD
Type: protein
Length: 244 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Phospholipase A2
EC: 3.1.1.4
UniProt: P45881
Pockets: 3 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Phospholipase A2 (EC 3.1.1.4)	protein	122	42% helix, 5% strand	P45881

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	102	0.43	0.77	19	empty
2	89	0.38	0.76	17	empty
3	65	0.32	0.75	14	empty

Interfaces

1 interface between chains.

A–B · 461 Å² buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

2OQD · Crystal Structure of BthTX-II · the same entry in another collection · chain A against A, TM-score 1.00
P45881 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 homolog bothropstoxin-II… · a predicted model of the same protein · chain A against A, TM-score 0.97

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 P45881
Elsewhere: RCSB PDB 2OQD · PDBe 2OQD · UniProt P45881

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