› 1qw5

X-ray diffraction
2.7Å resolution

Murine inducible nitric oxide synthase oxygenase domain in complex with W1400 inhibitor.

Released:
DOI: 10.2210/pdb1qw5/pdb
PDB entry 1qw5 coloured by chain, front view.
PDB entry 1qw5 coloured by chain, side view.
PDB entry 1qw5 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Structural basis for the specificity of the nitric-oxide synthase inhibitors W1400 and Nomega-propyl-L-Arg for the inducible and neuronal isoforms.
Fedorov R, Hartmann E, Ghosh DK, Schlichting I
J Biol Chem 278 45818-25 (2003)
PMID: 12954642

Function and Biology Details

Reaction catalysed: 
(1a) 2 L-arginine + 2 NADPH + 2 O(2) = 2 N(omega)-hydroxy-L-arginine + 2 NADP(+) + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-541982 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase, inducible Chains: A, B
Molecule details ›
Chains: A, B
Length: 419 amino acids
Theoretical weight: 48.5 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P29477 (Residues: 77-495; Coverage: 37%)
Gene names: Inosl, Nos2
Sequence domains: Nitric oxide synthase, oxygenase domain
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
3 bound ligands:
Ligand ZN 2 x ZN
Ligand H4B 2 x H4B
Ligand 14W 2 x 14W
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: EMBL/DESY, HAMBURG BEAMLINE X31
Spacegroup: P6122
Unit cell:
a: 214.561Å b: 214.561Å c: 117.391Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.214 0.211 0.264
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Targeting Neuroinflammation in Brain Cancer: Uncovering Mechanisms, Pharmacological Targets, and Neuropharmaceutical Developments.
Alghamri et al. (2021)
1 more

2 mentions without citation

Design of selective neuronal nitric oxide synthase inhibitors for the prevention and treatment of neurodegenerative diseases.
Silverman RB. (2009)
1 more