› 1d1x

X-ray diffraction
2Å resolution

BOVINE ENDOTHELIAL NITRIC OXIDE SYNTHASE HEME DOMAIN COMPLEXED WITH 1,4-PBITU (H4B BOUND)

Released:
DOI: 10.2210/pdb1d1x/pdb
Model geometry
Fit model/data
PDB entry 1d1x coloured by chain, front view.
PDB entry 1d1x coloured by chain, side view.
PDB entry 1d1x coloured by chain, top view.
Source organism: Bos taurus
Primary publication:
Implications for isoform-selective inhibitor design derived from the binding mode of bulky isothioureas to the heme domain of endothelial nitric-oxide synthase.
Raman CS, Li H, Martásek P, Babu BR, Griffith OW, Masters BS, Poulos TL
J Biol Chem 276 26486-91 (2001)
PMID: 11331290

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-151510 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Nitric oxide synthase 3 Chains: A, B
Molecule details ›
Chains: A, B
Length: 444 amino acids
Theoretical weight: 49.71 KDa
Source organism: Bos taurus
Expression system: Escherichia coli
UniProt:
  • Canonical: P29473 (Residues: 39-482; Coverage: 37%)
Gene name: NOS3
Sequence domains: Nitric oxide synthase, oxygenase domain
Structure domains:

Ligands and Environments


Cofactor: Ligand HEM 2 x HEM
6 bound ligands:
Ligand ACT 4 x ACT
Ligand ZN 1 x ZN
Ligand H4B 2 x H4B
Ligand 4BT 2 x 4BT
Ligand CAD 2 x CAD
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: SSRL BEAMLINE BL7-1
Spacegroup: P212121
Unit cell:
a: 58.53Å b: 106.73Å c: 156.73Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.22 0.22 0.254
Expression system: Escherichia coli

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Citations

2 review citations

Arsenic binding to proteins.
Shen et al. (2013)
1 more