› 6t5g

X-ray diffraction
1.28Å resolution

Structure of Human Aldose Reductase Mutant L300A with a Citrate Molecule Bound in the Anion Binding Pocket

Released:
DOI: 10.2210/pdb6t5g/pdb
PDB entry 6t5g coloured by chain, front view.
PDB entry 6t5g coloured by chain, side view.
PDB entry 6t5g coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Hubert L-S, Ley M, Heine A, Klebe G

Function and Biology Details

Reactions catalysed: 
Alditol + NAD(P)(+) = aldose + NAD(P)H
All-trans-retinol + NADP(+) = all-trans-retinal + NADPH
Glycerol + NADP(+) = D-glyceraldehyde + NADPH
Allyl alcohol + NADP(+) = acrolein + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-537846 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Aldo-keto reductase family 1 member B1 Chain: A
Molecule details ›
Chain: A
Length: 316 amino acids
Theoretical weight: 35.86 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P15121 (Residues: 1-316; Coverage: 100%)
Gene names: AKR1B1, ALDR1, ALR2
Sequence domains: Aldo/keto reductase family

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
1 bound ligand:
Ligand CIT 2 x CIT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID29
Spacegroup: P1
Unit cell:
a: 39.685Å b: 46.717Å c: 48.507Å
α: 93.012° β: 116.859° γ: 102.606°
R-values:
R R work R free
0.131 0.13 0.16
Expression system: Escherichia coli BL21(DE3)

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