› 1md9

X-ray diffraction
2.8Å resolution

CRYSTAL STRUCTURE OF DhbE IN COMPLEX WITH DHB AND AMP

Released:
DOI: 10.2210/pdb1md9/pdb
PDB 1md9 coloured by chain and viewed from the front.
PDB 1md9 coloured by chain and viewed from the side.
PDB 1md9 coloured by chain and viewed from the top.
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:
Sequence domains:
Structure domain:

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:
Ligand AMP 1 x AMP
Ligand DBH 1 x DBH
1 modified residue:
Ligand MSE 8 x MSE

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

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Citations

24 review citations

Saccharomyces cerevisiae as host for the recombinant production of polyketides and nonribosomal peptides.
Tippelt et al. (2021)
23 more

6 mentions without citation

Module evolution and substrate specificity of fungal nonribosomal peptide synthetases involved in siderophore biosynthesis.
Bushley et al. (2008)
5 more