› 2orq

X-ray diffraction
2.1Å resolution

Murine Inducible Nitric Oxide Synthase Oxygenase Domain (DELTA 114) 4-(imidazol-1-yl)phenol and piperonylamine Complex

Released:
DOI: 10.2210/pdb2orq/pdb
PDB entry 2orq coloured by chain, front view.
PDB entry 2orq coloured by chain, side view.
PDB entry 2orq coloured by chain, top view.
Source organism: Mus musculus
Primary publication:
Design, synthesis, and activity of 2-imidazol-1-ylpyrimidine derived inducible nitric oxide synthase dimerization inhibitors.
Davey DD, Adler M, Arnaiz D, Eagen K, Erickson S, Guilford W, Kenrick M, Morrissey MM, Ohlmeyer M, Pan G, Paradkar VM, Parkinson J, Polokoff M, Saionz K, Santos C, Subramanyam B, Vergona R, Wei RG, Whitlow M, Ye B, Zhao ZS, Devlin JJ, Phillips G
J Med Chem 50 1146-57 (2007)
PMID: 17315988

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 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 MSR 1 x MSR
Ligand MR1 1 x MR1
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL9-1
Spacegroup: P212121
Unit cell:
a: 62.99Å b: 74.17Å c: 92.68Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.203 0.202 0.243
Expression system: Escherichia coli

Quick links

Citations

3 review citations

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

4 mentions without citation

Nitric oxide synthase and structure-based inhibitor design.
Poulos et al. (2017)
3 more