› 4d7i

X-ray diffraction
1.96Å resolution

Structure of Bacillus subtilis nitric oxide synthase I218V in complex with 6-(4-(((3-Fluorophenethyl)amino)methyl)phenyl)-4-methylpyridin-2- amine

Released:
DOI: 10.2210/pdb4d7i/pdb
PDB entry 4d7i coloured by chain, front view.
PDB entry 4d7i coloured by chain, side view.
PDB entry 4d7i coloured by chain, top view.
Source organism: Bacillus subtilis subsp. subtilis str. 168
Primary publication:
Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus aureus.
Holden JK, Kang S, Beasley FC, Cinelli MA, Li H, Roy SG, Dejam D, Edinger AL, Nizet V, Silverman RB, Poulos TL
Chem Biol 22 785-92 (2015)
PMID: 26091171

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: 41.77 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 HEM 1 x HEM

Cofactor: Ligand H4B 1 x H4B
3 bound ligands:
Ligand CL 1 x CL
Ligand 0GD 1 x 0GD
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.2.2
Spacegroup: P21212
Unit cell:
a: 80.56Å b: 95.05Å c: 61.62Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.192 0.189 0.235
Expression system: Escherichia coli BL21(DE3)

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Citations

3 review citations

Neutrophil-generated oxidative stress and protein damage in Staphylococcus aureus.
Beavers et al. (2016)
2 more

1 mention without citation

Nitric Oxide Synthase as a Target for Methicillin-Resistant Staphylococcus aureus.
Holden et al. (2015)