› 1zzt

X-ray diffraction
2.14Å resolution

Bovine eNOS N368D/V106M double mutant with L-N(omega)-Nitroarginine-(4R)-Amino-L-Proline Amide Bound

Released:
DOI: 10.2210/pdb1zzt/pdb
PDB entry 1zzt coloured by chain, front view.
PDB entry 1zzt coloured by chain, side view.
PDB entry 1zzt coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Exploring the binding conformations of bulkier dipeptide amide inhibitors in constitutive nitric oxide synthases.
Li H, Flinspach ML, Igarashi J, Jamal J, Yang W, Gómez-Vidal JA, Litzinger EA, Huang H, Erdal EP, Silverman RB, Poulos TL
Biochemistry 44 15222-9 (2005)
PMID: 16285725

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-151510 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 416 amino acids
Theoretical weight: 46.99 KDa
Source organism: Bos taurus
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P29473 (Residues: 67-482; Coverage: 35%)
Gene name: NOS3
Sequence domains: Nitric oxide synthase, oxygenase domain
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
4 bound ligands:
Ligand ACT 2 x ACT
Ligand ZN 1 x ZN
Ligand H4B 2 x H4B
Ligand DP9 2 x DP9
1 modified residue:
Ligand CAS 2 x CAS

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 5.0.1
Spacegroup: P212121
Unit cell:
a: 56.45Å b: 105.74Å c: 155.6Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.189 0.189 0.233
Expression system: Escherichia coli BL21(DE3)

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Citations

2 review citations

Design of selective neuronal nitric oxide synthase inhibitors for the prevention and treatment of neurodegenerative diseases.
Silverman RB. (2009)
1 more