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› 5wm5

X-ray diffraction
1.8Å resolution

Crystal Structure of CahJ in Complex with 5-Methylsalicyl Adenylate

Released:
DOI: 10.2210/pdb5wm5/pdb
Model geometry
Fit model/data
PDB entry 5wm5 coloured by chain, front view.
PDB entry 5wm5 coloured by chain, side view.
PDB entry 5wm5 coloured by chain, top view.
Source organism: Streptomyces gandocaensis
Primary publication:
A Defined and Flexible Pocket Explains Aryl Substrate Promiscuity of the Cahuitamycin Starter Unit-Activating Enzyme CahJ.
Tripathi A, Park SR, Sikkema AP, Cho HJ, Wu J, Lee B, Xi C, Smith JL, Sherman DH
Chembiochem 19 1595-1600 (2018)
PMID: 29742306

Function and Biology Details

Biochemical function:
Biological process:
  • not assigned
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-102920 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Salicylate-AMP ligase Chain: A
Molecule details ›
Chain: A
Length: 564 amino acids
Theoretical weight: 60.78 KDa
Source organism: Streptomyces gandocaensis
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: A0A140DJY3 (Residues: 1-544; Coverage: 100%)
Gene name: cahJ
Sequence domains:

Ligands and Environments

3 bound ligands:
Ligand B5Y 1 x B5Y
Ligand ACT 2 x ACT
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P3221
Unit cell:
a: 121.711Å b: 121.711Å c: 87.825Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.155 0.154 0.197
Expression system: Escherichia coli BL21(DE3)

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Citations

1 review citation

Strategies and Approaches for Discovery of Small Molecule Disruptors of Biofilm Physiology.
Trebino et al. (2021)
2 other articles

1 mention without citation

Structural advances toward understanding the catalytic activity and conformational dynamics of modular nonribosomal peptide synthetases.
Patel et al. (2023)