› 4eix

X-ray diffraction
2.9Å resolution

Structural Studies of the ternary complex of Phaspholipase A2 with nimesulide and indomethacin

Released:
DOI: 10.2210/pdb4eix/pdb
PDB entry 4eix coloured by chain, front view.
PDB entry 4eix coloured by chain, side view.
PDB entry 4eix coloured by chain, top view.
Source organism: Daboia russelii pulchella
Entry authors: Shukla PK, Singh N, Kumar S, Bhushan A, Sinha M, Kaur P, Sharma S, Singh TP

Function and Biology Details

Reaction catalysed: 
Phosphatidylcholine + H(2)O = 1-acylglycerophosphocholine + a carboxylate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157747 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Basic phospholipase A2 VRV-PL-VIIIa Chain: A
Molecule details ›
Chain: A
Length: 121 amino acids
Theoretical weight: 13.63 KDa
Source organism: Daboia russelii pulchella
UniProt:
  • Canonical: P59071 (Residues: 1-121; Coverage: 100%)
Sequence domains: Phospholipase A2
Structure domains: Phospholipase A2 domain

Ligands and Environments

3 bound ligands:
Ligand NIM 1 x NIM
Ligand IMN 1 x IMN
Ligand CCN 1 x CCN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU300
Spacegroup: P43
Unit cell:
a: 52.88Å b: 52.88Å c: 48.42Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.184 0.184 0.208

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