› 5wm2

X-ray diffraction
1.55Å resolution

Crystal Structure of CahJ in Complex with Salicylic Acid and AMP

Released:
DOI: 10.2210/pdb5wm2/pdb
PDB entry 5wm2 coloured by chain, front view.
PDB entry 5wm2 coloured by chain, side view.
PDB entry 5wm2 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

4 bound ligands:
Ligand SAL 1 x SAL
Ligand AMP 1 x AMP
Ligand GOL 2 x GOL
Ligand ACT 1 x ACT
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: APS BEAMLINE 23-ID-D
Spacegroup: P3221
Unit cell:
a: 121.872Å b: 121.872Å c: 87.688Å
α: 90° β: 90° γ: 120°
R-values:
R R work R free
0.148 0.126 0.158
Expression system: Escherichia coli BL21(DE3)

Quick links

Citations

1 review citation

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

2 mentions without citation

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