› 1zzu

X-ray diffraction
1.9Å resolution

Rat nNOS D597N/M336V double mutant with L-N(omega)-Nitroarginine-2,4-L-Diaminobutyric Amide Bound

Released:
DOI: 10.2210/pdb1zzu/pdb
Model geometry
Fit model/data
PDB entry 1zzu coloured by chain, front view.
PDB entry 1zzu coloured by chain, side view.
PDB entry 1zzu coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Exploring the binding conformations of bulkier dipeptide amide inhibitors in constitutive nitric oxide synthases.
Li H, Flinspach ML, Igarashi J, Jamal J, Yang W, Gómez-Vidal JA, Litzinger EA, Huang H, Erdal EP, Silverman RB, Poulos TL
Biochemistry 44 15222-9 (2005)
PMID: 16285725

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: 420 amino acids
Theoretical weight: 48.58 KDa
Source organism: Rattus norvegicus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P29476 (Residues: 299-718; Coverage: 29%)
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 ZN 1 x ZN
Ligand MTL 2 x MTL
Ligand H4B 2 x H4B
Ligand DP1 2 x DP1
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ALS BEAMLINE 5.0.2
Spacegroup: P212121
Unit cell:
a: 52.36Å b: 111.13Å c: 165.16Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.202 0.202 0.228
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

2 review citations

Design of selective neuronal nitric oxide synthase inhibitors for the prevention and treatment of neurodegenerative diseases.
Silverman RB. (2009)
1 more

1 mention without citation

In-silico prediction of drug targets, biological activities, signal pathways and regulating networks of dioscin based on bioinformatics.
Yin et al. (2015)