› 3std

X-ray diffraction
1.65Å resolution

SCYTALONE DEHYDRATASE AND CYANOCINNOLINE INHIBITOR

Released:
DOI: 10.2210/pdb3std/pdb
PDB entry 3std coloured by chain, front view.
PDB entry 3std coloured by chain, side view.
PDB entry 3std coloured by chain, top view.
Source organism: Pyricularia grisea
Primary publication:
Structure-based design of potent inhibitors of scytalone dehydratase: displacement of a water molecule from the active site.
Chen JM, Xu SL, Wawrzak Z, Basarab GS, Jordan DB
Biochemistry 37 17735-44 (1998)
PMID: 9922139

Function and Biology Details

Reaction catalysed: 
Scytalone = 1,3,8-trihydroxynaphthalene + H(2)O
Biochemical function:
Biological process:
Cellular component:
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
homo trimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-157440 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Scytalone dehydratase Chains: A, B, C
Molecule details ›
Chains: A, B, C
Length: 165 amino acids
Theoretical weight: 19.51 KDa
Source organism: Pyricularia grisea
Expression system: Escherichia coli
UniProt:
  • Canonical: P56221 (Residues: 10-172; Coverage: 95%)
Gene names: MGG_05059, SDH1
Sequence domains: Scytalone dehydratase
Structure domains: Nuclear Transport Factor 2; Chain: A,

Ligands and Environments

2 bound ligands:
Ligand MQ0 3 x MQ0
Ligand CA 2 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU RU200
Spacegroup: I222
Unit cell:
a: 80.23Å b: 90.26Å c: 162.14Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.194 0.23
Expression system: Escherichia coli

Quick links

Citations

10 review citations

A medicinal chemist's guide to molecular interactions.
Bissantz et al. (2010)
9 more

14 mentions without citation

The pyridazine heterocycle in molecular recognition and drug discovery.
Meanwell NA. (2023)
13 more