› 5g6c

X-ray diffraction
2.13Å resolution

Structure of Bacillus subtilis Nitric Oxide Synthase I218V in complex with 7-((3-Fluorophenethylamino)ethyl)quinolin-2-amine

Released:
DOI: 10.2210/pdb5g6c/pdb
PDB entry 5g6c coloured by chain, front view.
PDB entry 5g6c coloured by chain, side view.
PDB entry 5g6c coloured by chain, top view.
Source organism: Bacillus subtilis
Primary publication:
Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Holden JK, Lewis MC, Cinelli MA, Abdullatif Z, Pensa AV, Silverman RB, Poulos TL
Biochemistry 55 5587-5594 (2016)
PMID: 27607918

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-519618 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase oxygenase Chain: A
Molecule details ›
Chain: A
Length: 363 amino acids
Theoretical weight: 41.77 KDa
Source organism: Bacillus subtilis
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
Structure domains:

Ligands and Environments


Cofactor: Ligand H4B 1 x H4B

Cofactor: Ligand HEM 1 x HEM
3 bound ligands:
Ligand CL 1 x CL
Ligand M48 1 x M48
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.1
Spacegroup: P21212
Unit cell:
a: 80.86Å b: 94.67Å c: 61.78Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.206 0.204 0.252
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

Nitric Oxide, Nitric Oxide Formers and Their Physiological Impacts in Bacteria.
Chen et al. (2022)
2 other articles

1 mention without citation

Targeting Bacterial Nitric Oxide Synthase with Aminoquinoline-Based Inhibitors.
Holden et al. (2016)