› 4z3d

X-ray diffraction
1.8Å resolution

Human carbonyl reductase 1 with glutathione in a protective configuration

Released:
DOI: 10.2210/pdb4z3d/pdb
PDB entry 4z3d coloured by chain, front view.
PDB entry 4z3d coloured by chain, side view.
PDB entry 4z3d coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Structural insights on the catalytic site protection of human carbonyl reductase 1 by glutathione.
Liang Q, Liu R, Du S, Ding Y
J Struct Biol 192 138-44 (2015)
PMID: 26381805

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:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-147646 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Carbonyl reductase [NADPH] 1 Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 276 amino acids
Theoretical weight: 30.28 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 NDP 4 x NDP
1 bound ligand:
Ligand GSH 4 x GSH
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRF BEAMLINE BL17U
Spacegroup: P1
Unit cell:
a: 55.567Å b: 57.18Å c: 99.453Å
α: 82.99° β: 87.32° γ: 85.66°
R-values:
R R work R free
0.183 0.182 0.212
Expression system: Escherichia coli

Quick links

Citations

1 review citation

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

2 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)
1 more