› 1td7

X-ray diffraction
2.5Å resolution

Interactions of a specific non-steroidal anti-inflammatory drug (NSAID) with group I phospholipase A2 (PLA2): Crystal structure of the complex formed between PLA2 and niflumic acid at 2.5 A resolution

Released:
DOI: 10.2210/pdb1td7/pdb
PDB entry 1td7 coloured by chain, front view.
PDB entry 1td7 coloured by chain, side view.
PDB entry 1td7 coloured by chain, top view.
Source organism: Naja sagittifera
Primary publication:
Non-steroidal anti-inflammatory drugs as potent inhibitors of phospholipase A2: structure of the complex of phospholipase A2 with niflumic acid at 2.5 Angstroms resolution.
Jabeen T, Singh N, Singh RK, Sharma S, Somvanshi RK, Dey S, Singh TP
Acta Crystallogr D Biol Crystallogr 61 1579-86 (2005)
PMID: 16301791

Function and Biology Details

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

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157964 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Acidic phospholipase A2 3 Chain: A
Molecule details ›
Chain: A
Length: 119 amino acids
Theoretical weight: 13.18 KDa
Source organism: Naja sagittifera
UniProt:
  • Canonical: P60045 (Residues: 8-126; Coverage: 94%)
Sequence domains: Phospholipase A2
Structure domains: Phospholipase A2 domain

Ligands and Environments

2 bound ligands:
Ligand CA 1 x CA
Ligand NFL 1 x NFL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X11
Spacegroup: P41
Unit cell:
a: 42.356Å b: 42.356Å c: 64.958Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.211 0.193 0.242

Quick links

Citations

2 review citations

Survey of the year 2005 commercial optical biosensor literature.
Rich et al. (2006)
1 more

2 mentions without citation

Connecting proteins with drug-like compounds: Open source drug discovery workflows with BindingDB and KNIME.
Nicola et al. (2015)
1 more