› 4imu

X-ray diffraction
2.03Å resolution

Structure of rat neuronal nitric oxide synthase in complex with 6,6'-((5-(aminomethyl)-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine)

Released:
DOI: 10.2210/pdb4imu/pdb
PDB entry 4imu coloured by chain, front view.
PDB entry 4imu coloured by chain, side view.
PDB entry 4imu coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
Huang H, Li H, Martásek P, Roman LJ, Poulos TL, Silverman RB
J Med Chem 56 3024-32 (2013)
PMID: 23451760

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 dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151520 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 422 amino acids
Theoretical weight: 48.81 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P29476 (Residues: 297-718; Coverage: 30%)
Gene names: Bnos, Nos1
Sequence domains: Nitric oxide synthase, oxygenase domain
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
5 bound ligands:
Ligand H4B 2 x H4B
Ligand 1ET 2 x 1ET
Ligand ACT 2 x ACT
Ligand ZN 3 x ZN
Ligand CL 4 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P212121
Unit cell:
a: 51.908Å b: 110.223Å c: 163.855Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.225
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

5 review citations

Nitric oxide synthase inhibition and oxidative stress in cardiovascular diseases: possible therapeutic targets?
Rochette et al. (2013)
4 more

1 mention without citation

Structure-guided design of selective inhibitors of neuronal nitric oxide synthase.
Huang et al. (2013)