› 1htb

X-ray diffraction
2.4Å resolution

CRYSTALLIZATION OF HUMAN BETA3 ALCOHOL DEHYDROGENASE (10 MG/ML) IN 100 MM SODIUM PHOSPHATE (PH 7.5), 7.5 MM NAD+ AND 1 MM 4-IODOPYRAZOLE AT 25 C

Released:
DOI: 10.2210/pdb1htb/pdb
PDB entry 1htb coloured by chain, front view.
PDB entry 1htb coloured by chain, side view.
PDB entry 1htb coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
X-ray structure of human beta3beta3 alcohol dehydrogenase. The contribution of ionic interactions to coenzyme binding.
Davis GJ, Bosron WF, Stone CL, Owusu-Dekyi K, Hurley TD
J Biol Chem 271 17057-61 (1996)
PMID: 8663387

Function and Biology Details

Reaction catalysed: 
All-trans-retinol-[cellular-retinol-binding-protein] + NAD(+) = all-trans-retinal-[cellular-retinol-binding-protein] + NADH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-132402 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
All-trans-retinol dehydrogenase [NAD(+)] ADH1B Chains: A, B
Molecule details ›
Chains: A, B
Length: 374 amino acids
Theoretical weight: 39.72 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P00325 (Residues: 2-375; Coverage: 100%)
Gene names: ADH1B, ADH2
Sequence domains:
Structure domains:

Ligands and Environments


Cofactor: Ligand NAD 2 x NAD
3 bound ligands:
Ligand ZN 4 x ZN
Ligand PYZ 2 x PYZ
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
Spacegroup: P1
Unit cell:
a: 54.03Å b: 44.43Å c: 92.74Å
α: 92.71° β: 103.17° γ: 69.15°
R-values:
R R work R free
0.175 0.175 0.243
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Targeting Metalloenzymes for Therapeutic Intervention.
Chen et al. (2019)
3 more

5 mentions without citation

Modeling symmetric macromolecular structures in Rosetta3.
DiMaio et al. (2011)
4 more