› 6po7

X-ray diffraction
1.95Å resolution

Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 7-(3-(Aminomethyl)-4-(cyclopropylmethoxy)phenyl)-4-methylquinolin-2-amine

Released:
DOI: 10.2210/pdb6po7/pdb
PDB entry 6po7 coloured by chain, front view.
PDB entry 6po7 coloured by chain, side view.
PDB entry 6po7 coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
Cinelli MA, Reidl CT, Li H, Chreifi G, Poulos TL, Silverman RB
J Med Chem 63 4528-4554 (2020)
PMID: 32302123

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-151514 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase 1 Chains: A, B
Molecule details ›
Chains: A, B
Length: 421 amino acids
Theoretical weight: 48.78 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P29475 (Residues: 302-722; Coverage: 29%)
Gene name: NOS1
Sequence domains: Nitric oxide synthase, oxygenase domain

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
4 bound ligands:
Ligand H4B 2 x H4B
Ligand OU1 2 x OU1
Ligand GOL 3 x GOL
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P212121
Unit cell:
a: 51.81Å b: 122.792Å c: 164.3Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.187 0.185 0.225
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Neuronal Nitric Oxide Synthase and Post-Translational Modifications in the Development of Central Nervous System Diseases: Implications and Regulation.
Maccallini et al. (2023)
3 other articles

1 mention without citation

First Contact: 7-Phenyl-2-Aminoquinolines, Potent and Selective Neuronal Nitric Oxide Synthase Inhibitors That Target an Isoform-Specific Aspartate.
Cinelli et al. (2020)