› 4std

X-ray diffraction
2.15Å resolution

HIGH RESOLUTION STRUCTURES OF SCYTALONE DEHYDRATASE-INHIBITOR COMPLEXES CRYSTALLIZED AT PHYSIOLOGICAL PH

Released:
DOI: 10.2210/pdb4std/pdb
PDB entry 4std coloured by chain, front view.
PDB entry 4std coloured by chain, side view.
PDB entry 4std coloured by chain, top view.
Source organism: Pyricularia grisea
Primary publication:
High-resolution structures of scytalone dehydratase-inhibitor complexes crystallized at physiological pH.
Wawrzak Z, Sandalova T, Steffens JJ, Basarab GS, Lundqvist T, Lindqvist Y, Jordan DB
Proteins 35 425-39 (1999)
PMID: 10382670

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: 164 amino acids
Theoretical weight: 19.38 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

1 bound ligand:
Ligand BFS 3 x BFS
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P42212
Unit cell:
a: 119.85Å b: 119.85Å c: 80.37Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.224 0.224 0.278
Expression system: Escherichia coli

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Citations

2 review citations

Biosynthesis of fungal melanins and their importance for human pathogenic fungi.
Langfelder et al. (2003)
1 more

7 mentions without citation

A force field with discrete displaceable waters and desolvation entropy for hydrated ligand docking.
Forli et al. (2012)
6 more