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MolNFT v1 · #104570 · protein

Crystal structure of the complex of phospholipase A2 with resveratrol at 1.20 a resolution

4QER · Phospholipase A2 vrv-pl-viiia: “Crystal structure of the complex of phospholipase A2 with resveratrol at 1.20 a resolution”. X-ray diffraction, 2 ligands (STL, SO4), 1 pocket (best druggability 0.51). MolNFT v1 #104570 on GenesisL1…

PDB
4QER
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
STL, SO4
Pockets
1 · best druggability 0.51

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
APhospholipase A2 vrv-pl-viiia (EC 3.1.1.4)protein12148% helix, 8% strandD0VX11

Ligands and binding sites

  • STL · Resveratrol · ligand · chains A
  • SO4 · Sulfate ion · ion · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11520.510.7921STL

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 4QER · Crystal Structure of the Complex of Phospholipase A2 with Resveratrol at 1.20 A Resolution · the same entry in another collection · chain A against A, TM-score 1.00

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