› 4cx7

X-ray diffraction
3.16Å resolution

Structure of human iNOS heme domain in complex with (R)-6-(3-AMINO-2-(5-(2-(6-AMINO-4- METHYLPYRIDIN-2-YL)ETHYL)PYRIDIN-3-YL)PROPYL)-4- METHYLPYRIDIN-2-AMINE

Released:
DOI: 10.2210/pdb4cx7/pdb
PDB entry 4cx7 coloured by chain, front view.
PDB entry 4cx7 coloured by chain, side view.
PDB entry 4cx7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
The mobility of a conserved tyrosine residue controls isoform-dependent enzyme-inhibitor interactions in nitric oxide synthases.
Li H, Jamal J, Delker S, Plaza C, Ji H, Jing Q, Huang H, Kang S, Silverman RB, Poulos TL
Biochemistry 53 5272-9 (2014)
PMID: 25089924

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:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152859 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase, inducible Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 431 amino acids
Theoretical weight: 49.71 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P35228 (Residues: 74-504; Coverage: 37%)
Gene names: NOS2, NOS2A
Sequence domains: Nitric oxide synthase, oxygenase domain
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 4 x HEM
4 bound ligands:
Ligand H4B 4 x H4B
Ligand S71 4 x S71
Ligand GOL 4 x GOL
Ligand SO4 9 x SO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL11-1
Spacegroup: P43212
Unit cell:
a: 189.223Å b: 189.223Å c: 232.773Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.176 0.174 0.216
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Nitric oxide synthase and its function in animal reproduction: an update.
Zhang et al. (2023)
11 other articles

6 mentions without citation

Inducible nitric oxide synthase: Regulation, structure, and inhibition.
Cinelli et al. (2020)
5 more