› 7tz4

X-ray diffraction
1.69Å resolution

Salicylate Adenylate PchD from Pseudomonas aeruginosa containing 4-cyanosalicyl-AMS

Released:
DOI: 10.2210/pdb7tz4/pdb
PDB entry 7tz4 coloured by chain, front view.
PDB entry 7tz4 coloured by chain, side view.
PDB entry 7tz4 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Rational inhibitor design for Pseudomonas aeruginosa salicylate adenylation enzyme PchD.
Shelton CL, Meneely KM, Ronnebaum TA, Chilton AS, Riley AP, Prisinzano TE, Lamb AL
J Biol Inorg Chem (2022)
PMID: 35513576

Function and Biology Details

Reaction catalysed: 
(1a) ATP + salicylate = diphosphate + (salicyl)adenylate
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191056 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Pyochelin synthase PchD Chain: A
Molecule details ›
Chain: A
Length: 547 amino acids
Theoretical weight: 59.98 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9HWG3 (Residues: 1-547; Coverage: 100%)
Gene names: PA4228, pchD
Sequence domains:

Ligands and Environments

1 bound ligand:
Ligand KUX 1 x KUX
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: SSRL BEAMLINE BL12-2
Spacegroup: C2
Unit cell:
a: 177.06Å b: 44.854Å c: 66.615Å
α: 90° β: 99.18° γ: 90°
R-values:
R R work R free
0.152 0.151 0.179
Expression system: Escherichia coli

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Citations

1 review citation

Iron Acquisition and Metabolism as a Promising Target for Antimicrobials (Bottlenecks and Opportunities): Where Do We Stand?
Stelitano et al. (2023)

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