› 1doh

X-ray diffraction
2.1Å resolution

STRUCTURE OF TRIHYDROXYNAPHTHALENE REDUCTASE IN COMPLEX WITH NADPH AND 4-NITRO-INDEN-1-ONE

Released:
DOI: 10.2210/pdb1doh/pdb
PDB entry 1doh coloured by chain, front view.
PDB entry 1doh coloured by chain, side view.
PDB entry 1doh coloured by chain, top view.
Source organism: Pyricularia grisea
Primary publication:
Structures of trihydroxynaphthalene reductase-fungicide complexes: implications for structure-based design and catalysis.
Liao D, Basarab GS, Gatenby AA, Valent B, Jordan DB
Structure 9 19-27 (2001)
PMID: 11342131

Function and Biology Details

Reaction catalysed: 
Scytalone + NADP(+) = 1,3,6,8-tetrahydroxynaphthalene + NADPH
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-171377 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Tetrahydroxynaphthalene reductase Chains: A, B
Molecule details ›
Chains: A, B
Length: 283 amino acids
Theoretical weight: 30.18 KDa
Source organism: Pyricularia grisea
Expression system: Escherichia coli
UniProt:
  • Canonical: Q12634 (Residues: 1-283; Coverage: 100%)
Gene name: MGG_02252
Sequence domains: Enoyl-(Acyl carrier protein) reductase
Structure domains: NAD(P)-binding Rossmann-like Domain

Ligands and Environments


Cofactor: Ligand NDP 2 x NDP
1 bound ligand:
Ligand NID 2 x NID
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: P3121
Unit cell:
a: 142.8Å b: 142.8Å c: 72.94Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.205 0.205 0.257
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Short-chain dehydrogenases/reductases (SDR): the 2002 update.
Oppermann et al. (2003)
1 more

5 mentions without citation

Characterization of the antibody response to the receptor binding domain of botulinum neurotoxin serotypes A and E.
Baldwin et al. (2005)
4 more