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MolNFT v1 · #48711 · protein

Crystal structure of phospholipase A2 complex with propanol at 1.5 a resolution

2Q1P · Phospholipase A2 vrv-pl-viiia: “Crystal structure of phospholipase A2 complex with propanol at 1.5 a resolution”. X-ray diffraction, 1 ligand (SO4), 1 pocket (best druggability 0.47). MolNFT v1 #48711 on GenesisL1: 3D structure…

PDB
2Q1P
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
P59071
Ligands
SO4
Pockets
1 · best druggability 0.47

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% strandP59071

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A
  • POL · N-propanol · additive · 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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11310.470.7720empty

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 2Q1P · Crystal Structure of Phospholipase A2 complex with propanol at 1.5 A resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • P59071 · AlphaFold monomer V2.0 prediction for basic phospholipase A2 vrv-pl- viiia (P59071) · a predicted model of the same protein · chain A against A, TM-score 0.98

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