› 6xk3

X-ray diffraction
1.95Å resolution

Nitric Oxide Synthase from Bacillus subtilis in complex with 7-((3-(((pyridin-2-ylmethyl)amino)methyl)phenoxy)methyl)quinolin-2-amine

Released:
DOI: 10.2210/pdb6xk3/pdb
PDB entry 6xk3 coloured by chain, front view.
PDB entry 6xk3 coloured by chain, side view.
PDB entry 6xk3 coloured by chain, top view.
Source organism: Bacillus subtilis subsp. subtilis str. 168
Entry authors: Lewis MC, Poulos TL

Function and Biology Details

Reaction catalysed: 
(1a) 2 L-arginine + 2 reduced flavodoxin + 2 O(2) = 2 N(omega)-hydroxy-L-arginine + 2 oxidized flavodoxin + 2 H(2)O
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-519617 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase oxygenase Chain: A
Molecule details ›
Chain: A
Length: 363 amino acids
Theoretical weight: 41.79 KDa
Source organism: Bacillus subtilis subsp. subtilis str. 168
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: O34453 (Residues: 1-363; Coverage: 100%)
Gene names: BSU07630, nos, yflM
Sequence domains: Nitric oxide synthase, oxygenase domain

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
5 bound ligands:
Ligand POL 1 x POL
Ligand GOL 3 x GOL
Ligand V4V 1 x V4V
Ligand CL 1 x CL
Ligand PEG 1 x PEG
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P21212
Unit cell:
a: 81.22Å b: 95.8Å c: 62.52Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.181 0.179 0.209
Expression system: Escherichia coli BL21(DE3)

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