› 3n6a

X-ray diffraction
2.49Å resolution

Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 4-(2-(5-(2-(6-amino-4-methylpyridin-2-yl)ethyl)pyridin-3-yl)ethyl)-6-methylpyridin-2-amine

Released:
DOI: 10.2210/pdb3n6a/pdb
PDB entry 3n6a coloured by chain, front view.
PDB entry 3n6a coloured by chain, side view.
PDB entry 3n6a coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Delker SL, Xue F, Li H, Jamal J, Silverman RB, Poulos TL
Biochemistry 49 10803-10 (2010)
PMID: 21138269

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: 444 amino acids
Theoretical weight: 49.74 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P29476 (Residues: 280-293, 294-340, 341-711; Coverage: 30%)
Gene names: Bnos, Nos1
Sequence domains: Nitric oxide synthase, oxygenase domain
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
6 bound ligands:
Ligand ACT 2 x ACT
Ligand XFK 2 x XFK
Ligand CAD 2 x CAD
Ligand H4B 2 x H4B
Ligand ZN 1 x ZN
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 58.071Å b: 106.614Å c: 156.886Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.184 0.243
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Development of nitric oxide synthase inhibitors for neurodegeneration and neuropathic pain.
Mukherjee et al. (2014)
3 more

1 mention without citation

Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Delker et al. (2010)