› 5oog

X-ray diffraction
1.33Å resolution

Human biliverdin IX beta reductase: NADP/Phloxine B ternary complex

Released:
DOI: 10.2210/pdb5oog/pdb
PDB entry 5oog coloured by chain, front view.
PDB entry 5oog coloured by chain, side view.
PDB entry 5oog coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
In silico and crystallographic studies identify key structural features of biliverdin IXβ reductase inhibitors having nanomolar potency.
Nesbitt NM, Zheng X, Li Z, Manso JA, Yen WY, Malone LE, Ripoll-Rozada J, Pereira PJB, Mantle TJ, Wang J, Bahou WF
J Biol Chem 293 5431-5446 (2018)
PMID: 29487133

Function and Biology Details

Reactions catalysed: 
Bilirubin + NAD(P)(+) = biliverdin + NAD(P)H
Reduced riboflavin + NADP(+) = riboflavin + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-151613 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Flavin reductase (NADPH) Chain: A
Molecule details ›
Chain: A
Length: 206 amino acids
Theoretical weight: 22.15 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P30043 (Residues: 1-206; Coverage: 100%)
Gene names: BLVRB, FLR, SCAN
Sequence domains: NAD(P)H-binding
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 1 x NAP
3 bound ligands:
Ligand A0B 1 x A0B
Ligand GOL 1 x GOL
Ligand PO4 1 x PO4
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: ESRF BEAMLINE ID23-1
Spacegroup: P212121
Unit cell:
a: 40.261Å b: 49.474Å c: 107.612Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.118 0.117 0.145
Expression system: Escherichia coli

Quick links

Citations

1 review citation

Metabolic Functions of Biliverdin IXβ Reductase in Redox-Regulated Hematopoietic Cell Fate.
Bahou et al. (2023)
3 other articles

1 mention without citation

In silico and crystallographic studies identify key structural features of biliverdin IXβ reductase inhibitors having nanomolar potency.
Nesbitt et al. (2018)