1md9

X-ray diffraction
2.8Å resolution

CRYSTAL STRUCTURE OF DhbE IN COMPLEX WITH DHB AND AMP

Released:
Source organism: Bacillus subtilis
Entry authors: May JJ, Kessler N, Marahiel MA, Stubbs MT

Function and Biology Details

Reaction catalysed:
(1a) ATP + 2,3-dihydroxybenzoate = diphosphate + (2,3-dihydroxybenzoyl)adenylate
Biochemical function:
Biological process:
  • not assigned
Cellular component:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
2,3-dihydroxybenzoate-AMP ligase Chain: A
Molecule details ›
Chain: A
Length: 539 amino acids
Theoretical weight: 60.36 KDa
Source organism: Bacillus subtilis
Expression system: Escherichia coli
UniProt:
  • Canonical: P40871 (Residues: 1-539; Coverage: 100%)
Gene names: BSU31980, dhbE, entE
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
1 modified residue:

Experiments and Validation Details

Entry percentile scores
Spacegroup: P31
Unit cell:
a: 66.9Å b: 66.9Å c: 114.8Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.232 0.232 0.288
Expression system: Escherichia coli