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MolNFT v1 · #74292 · protein

Crystal structure of the complex of group 1 phospholipase A2 with atropin at 1.5 a resolution

3OSH · Phospholipase A2 isoform 3: “Crystal structure of the complex of group 1 phospholipase A2 with atropin at 1.5 a resolution”. X-ray diffraction, 2 ligands (OIN, CA), 1 pocket (best druggability 0.54). MolNFT v1 #74292 on GenesisL1…

PDB
3OSH
Type
protein
Length
119 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Phospholipase A2 isoform 3
EC
3.1.1.4
UniProt
P60045
Ligands
OIN, CA
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 9% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APhospholipase A2 isoform 3 (EC 3.1.1.4)protein11947% helix, 9% strandP60045

Ligands and binding sites

  • OIN · (1R,5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate · ligand · chains A
  • CA · Calcium ion · metal · 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
11250.540.8221OIN

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 3OSH · Crystal Structure of The Complex of Group 1 Phospholipase A2 With Atropin At 1.5 A… · the same entry in another collection · chain A against A, TM-score 1.00
  • P60045 · AlphaFold monomer V2.0 prediction for acidic phospholipase A2 3 (P60045) · a predicted model of the same protein · chain A against A, TM-score 0.99

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