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Crystal structure of a acidic PLA2 from trimeresurus stejnegeri venom

Analyse Crystal structure of a acidic PLA2 from trimeresurus stejnegeri venom in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4RFP
Type
protein
Length
242 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Acidic phospholipase A2 5
EC
3.1.1.4
UniProt
P82896
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 48% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAcidic phospholipase A2 5 (EC 3.1.1.4)protein12148% helix, 9% strandP82896

Ligands and binding sites

  • PEG · Di(hydroxyethyl)ether · additive · 4 copies · chains A, B

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19780.820.8384empty

Interfaces

1 interface between chains.

  • A–B · 838 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide (disulfide).

Compared structures

  • 4RFP · Crystal structure of a acidic PLA2 from Trimeresurus stejnegeri venom · the same entry in another collection · chain A against A, TM-score 1.00
  • P82896 · AlphaFold monomer V2.0 prediction for acidic phospholipase A2 5 (P82896) · a predicted model of the same protein · chain A against A, TM-score 0.94

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