› 4ux6

X-ray diffraction
3Å resolution

The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS)

Released:
DOI: 10.2210/pdb4ux6/pdb
PDB entry 4ux6 coloured by chain, front view.
PDB entry 4ux6 coloured by chain, side view.
PDB entry 4ux6 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
The discovery of novel, potent and highly selective inhibitors of inducible nitric oxide synthase (iNOS).
Cheshire DR, Åberg A, Andersson GM, Andrews G, Beaton HG, Birkinshaw TN, Boughton-Smith N, Connolly S, Cook TR, Cooper A, Cooper SL, Cox D, Dixon J, Gensmantel N, Hamley PJ, Harrison R, Hartopp P, Käck H, Leeson PD, Luker T, Mete A, Millichip I, Nicholls DJ, Pimm AD, St-Gallay SA, Wallace AV
Bioorg Med Chem Lett 21 2468-71 (2011)
PMID: 21398123

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 analysis Details

Assembly composition:
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151524 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Nitric oxide synthase, inducible Chain: A
Molecule details ›
Chain: A
Length: 24 amino acids
Theoretical weight: 2.8 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P29477 (Residues: 77-100; Coverage: 2%)
Gene names: Inosl, Nos2
Nitric oxide synthase, inducible Chain: B
Molecule details ›
Chain: B
Length: 389 amino acids
Theoretical weight: 45.04 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P29477 (Residues: 108-496; Coverage: 34%)
Gene names: Inosl, Nos2
Sequence domains: Nitric oxide synthase, oxygenase domain

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
2 bound ligands:
Ligand H4B 1 x H4B
Ligand YWO 1 x YWO
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: MAX II BEAMLINE I711
Spacegroup: P6122
Unit cell:
a: 213.55Å b: 213.55Å c: 115.99Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.23 0.23 not available
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Arginine-based inhibitors of nitric oxide synthase: therapeutic potential and challenges.
Víteček et al. (2012)
3 more

5 mentions without citation

Discovery of Phenolic Glycoside from Hyssopus cuspidatus Attenuates LPS-Induced Inflammatory Responses by Inhibition of iNOS and COX-2 Expression through Suppression of NF-κB Activation.
Liu et al. (2021)
4 more