› 8cn7

X-ray diffraction
2.1Å resolution

Pa.FabF-C164Q in complex with platencin

Released:
DOI: 10.2210/pdb8cn7/pdb
Model geometry
Fit model/data
PDB entry 8cn7 coloured by chain, front view.
PDB entry 8cn7 coloured by chain, side view.
PDB entry 8cn7 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Towards new antibiotics: P. aeruginosa FabF ligands discovered by crystallographic fragment screening followed by hit expansion.
Georgiou C, Espeland LO, Bukya H, Yadrykhins'ky V, Haug BE, Mainkar PS, Brenk R
Eur J Med Chem 291 117563 (2025)
PMID: 40233425

Function and Biology Details

Reaction catalysed: 
A (Z)-hexadec-9-enoyl-[acyl-carrier protein] + a malonyl-[acyl-carrier protein] = a (Z)-3-oxooctadec-11-enoyl-[acyl-carrier protein] + CO(2) + an [acyl-carrier protein]
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-124418 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
3-oxoacyl-[acyl-carrier-protein] synthase 2 Chains: A, B
Molecule details ›
Chains: A, B
Length: 412 amino acids
Theoretical weight: 43.32 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: G3XDA2 (Residues: 2-413; Coverage: 100%)
Gene names: PA2965, fabF1
Sequence domains:

Ligands and Environments

2 bound ligands:
Ligand DMS 26 x DMS
Ligand N32 2 x N32
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: ESRF BEAMLINE ID23-2
Spacegroup: P21
Unit cell:
a: 71.001Å b: 64.779Å c: 84.586Å
α: 90° β: 106.3° γ: 90°
R-values:
R R work R free
0.173 0.171 0.224
Expression system: Escherichia coli

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