› 4j7u

X-ray diffraction
2.44Å resolution

Crystal structure of human sepiapterin reductase in complex with sulfathiazole

Released:
DOI: 10.2210/pdb4j7u/pdb
PDB entry 4j7u coloured by chain, front view.
PDB entry 4j7u coloured by chain, side view.
PDB entry 4j7u coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Tetrahydrobiopterin biosynthesis as an off-target of sulfa drugs.
Haruki H, Pedersen MG, Gorska KI, Pojer F, Johnsson K
Science 340 987-91 (2013)
PMID: 23704574

Function and Biology Details

Reaction catalysed: 
L-erythro-7,8-dihydrobiopterin + NADP(+) = sepiapterin + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-152880 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Sepiapterin reductase Chains: A, B, C, D
Molecule details ›
Chains: A, B, C, D
Length: 288 amino acids
Theoretical weight: 31.29 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli
UniProt:
  • Canonical: P35270 (Residues: 1-261; Coverage: 100%)
Gene name: SPR
Sequence domains: short chain dehydrogenase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NAP 4 x NAP
4 bound ligands:
Ligand YTZ 4 x YTZ
Ligand SO4 6 x SO4
Ligand PEG 4 x PEG
Ligand GOL 2 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SLS BEAMLINE X06SA
Spacegroup: P61
Unit cell:
a: 147.763Å b: 147.763Å c: 179.503Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.199 0.198 0.228
Expression system: Escherichia coli

Quick links

Citations

11 review citations

The evolving role of chemical synthesis in antibacterial drug discovery.
Wright et al. (2014)
10 more

2 mentions without citation

Sulfa drugs inhibit sepiapterin reduction and chemical redox cycling by sepiapterin reductase.
Yang et al. (2015)
1 more