› 1dd7

X-ray diffraction
2.25Å resolution

MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DOMAIN (DELTA 114) (N-[(1,3-BENZODIOXOL-5-YL)METHYL]-1-[2-(1H-IMIDAZOL-1-YL)PYRIMIDIN-4-YL]-4-(METHOXYCARBONYL)-PIPERAZINE-2-ACETAMIDE COMPLEX

Released:
DOI: 10.2210/pdb1dd7/pdb
PDB entry 1dd7 coloured by chain, front view.
PDB entry 1dd7 coloured by chain, side view.
PDB entry 1dd7 coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Allosteric inhibitors of inducible nitric oxide synthase dimerization discovered via combinatorial chemistry.
McMillan K, Adler M, Auld DS, Baldwin JJ, Blasko E, Browne LJ, Chelsky D, Davey D, Dolle RE, Eagen KA, Erickson S, Feldman RI, Glaser CB, Mallari C, Morrissey MM, Ohlmeyer MH, Pan G, Parkinson JF, Phillips GB, Polokoff MA, Sigal NH, Vergona R, Whitlow M, Young TA, Devlin JJ
Proc Natl Acad Sci U S A 97 1506-11 (2000)
PMID: 10677491

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 domain:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151523 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase, inducible Chain: A
Molecule details ›
Chain: A
Length: 389 amino acids
Theoretical weight: 45.27 KDa
Source organism: Mus musculus
Expression system: Escherichia coli
UniProt:
  • Canonical: P29477 (Residues: 114-498; Coverage: 34%)
Gene names: Inosl, Nos2
Sequence domains: Nitric oxide synthase, oxygenase domain
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 1 x HEM
2 bound ligands:
Ligand SO3 1 x SO3
Ligand 1PM 1 x 1PM
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: P212121
Unit cell:
a: 63.42Å b: 73.93Å c: 93.64Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.197 0.197 0.284
Expression system: Escherichia coli

Quick links

Citations

37 review citations

Nitric oxide synthases: structure, function and inhibition.
Alderton et al. (2001)
36 more

12 mentions without citation

Inducible nitric oxide synthase: Regulation, structure, and inhibition.
Cinelli et al. (2020)
11 more