› 4ug6

X-ray diffraction
1.81Å resolution

Structure of Bacillus subtilis Nitric Oxide Synthase in complex with 6,6'-(pyridine-3,5-diyldiethane-2,1-diyl)bis(4-methylpyridin-2-amine)

Released:
DOI: 10.2210/pdb4ug6/pdb
PDB entry 4ug6 coloured by chain, front view.
PDB entry 4ug6 coloured by chain, side view.
PDB entry 4ug6 coloured by chain, top view.
Source organism: Bacillus subtilis subsp. subtilis str. 168
Primary publication:
Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Holden JK, Dejam D, Lewis MC, Huang H, Kang S, Jing Q, Xue F, Silverman RB, Poulos TL
Biochemistry 54 4075-82 (2015)
PMID: 26062720

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:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-128541 (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
Structure domains:

Ligands and Environments


Cofactor: Ligand H4B 1 x H4B

Cofactor: Ligand HEM 1 x HEM
4 bound ligands:
Ligand CL 1 x CL
Ligand XFJ 1 x XFJ
Ligand POL 2 x POL
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-2
Spacegroup: P21212
Unit cell:
a: 81.46Å b: 95.435Å c: 63.35Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.192 0.234
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

3 citation in other articles

Metallacage-based enhanced PDT strategy for bacterial elimination via inhibiting endogenous NO production.
Huang et al. (2023)
2 more

1 mention without citation

Inhibitor Bound Crystal Structures of Bacterial Nitric Oxide Synthase.
Holden et al. (2015)