› 2pfg

X-ray diffraction
1.54Å resolution

Crystal structure of human CBR1 in complex with BiGF2.

Released:
DOI: 10.2210/pdb2pfg/pdb
PDB entry 2pfg coloured by chain, front view.
PDB entry 2pfg coloured by chain, side view.
PDB entry 2pfg coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Glutathione traps formaldehyde by formation of a bicyclo[4.4.1]undecane adduct.
Bateman R, Rauh D, Shokat KM
Org Biomol Chem 5 3363-7 (2007)
PMID: 17912391

Function and Biology Details

Reactions catalysed: 
R-CHOH-R' + NADP(+) = R-CO-R' + NADPH
(5Z,13E)-(15S)-9-alpha,11-alpha,15-trihydroxyprosta-5,13-dienoate + NADP(+) = (5Z,13E)-(15S)-11-alpha,15-dihydroxy-9-oxoprosta-5,13-dienoate + NADPH
(5Z,13E)-(15S)-9-alpha,15-dihydroxy-11-oxoprosta-5,13-dienoate + NADP(+) = (5Z,13E)-9-alpha-hydroxy-11,15-dioxoprosta-5,13-dienoate + NADPH
(13E)-(15S)-11-alpha,15-dihydroxy-9-oxoprost-13-enoate + NADP(+) = (13E)-11-alpha-hydroxy-9,15-dioxoprost-13-enoate + NADPH
An alcohol + NAD(P)(+) = an aldehyde + NAD(P)H
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147645 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonyl reductase [NADPH] 1 Chain: A
Molecule details ›
Chain: A
Length: 276 amino acids
Theoretical weight: 30.31 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P16152 (Residues: 2-277; Coverage: 100%)
Gene names: CBR, CBR1, CRN, SDR21C1
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
3 bound ligands:
Ligand CL 1 x CL
Ligand DDD 1 x DDD
Ligand GOL 1 x GOL
1 modified residue:
Ligand M0H 1 x M0H

Experiments and Validation Details

Entry percentile scores
X-ray source: ALS BEAMLINE 8.3.1
Spacegroup: P212121
Unit cell:
a: 54.636Å b: 59.884Å c: 87.954Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.115 0.112 0.164
Expression system: Escherichia coli

Quick links

Citations

2 review citations

The role of carbonyl reductase 1 in drug discovery and development.
Shi et al. (2017)
1 more

3 mentions without citation

Metabolic carbonyl reduction of anthracyclines - role in cardiotoxicity and cancer resistance. Reducing enzymes as putative targets for novel cardioprotective and chemosensitizing agents.
Piska et al. (2017)
2 more