› 5agn

X-ray diffraction
1.95Å resolution

Structure of rat neuronal nitric oxide synthase heme domain in complex with (S)-2-Amino-5-(2-hydroxyacetimidamido)pentanoic acid

Released:
DOI: 10.2210/pdb5agn/pdb
PDB entry 5agn coloured by chain, front view.
PDB entry 5agn coloured by chain, side view.
PDB entry 5agn coloured by chain, top view.
Source organism: Rattus norvegicus
Primary publication:
Mechanism of Inactivation of Neuronal Nitric Oxide Synthase by (S)-2-Amino-5-(2-(methylthio)acetimidamido)pentanoic Acid.
Tang W, Li H, Doud EH, Chen Y, Choing S, Plaza C, Kelleher NL, Poulos TL, Silverman RB
J Am Chem Soc 137 5980-9 (2015)
PMID: 25874809

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
4 bound ligands:
Ligand H4B 2 x H4B
Ligand 4JK 2 x 4JK
Ligand ACT 2 x ACT
Ligand ZN 1 x ZN
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 51.935Å b: 110.476Å c: 164.456Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.186 0.184 0.222
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Design and Mechanism of GABA Aminotransferase Inactivators. Treatments for Epilepsies and Addictions.
Silverman RB. (2018)
4 other articles