› 1s17

X-ray diffraction
1.95Å resolution

Identification of Novel Potent Bicyclic Peptide Deformylase Inhibitors

Released:
DOI: 10.2210/pdb1s17/pdb
PDB entry 1s17 coloured by chain, front view.
PDB entry 1s17 coloured by chain, side view.
PDB entry 1s17 coloured by chain, top view.
Source organism: Pseudomonas aeruginosa
Primary publication:
Identification of novel potent bicyclic peptide deformylase inhibitors.
Molteni V, He X, Nabakka J, Yang K, Kreusch A, Gordon P, Bursulaya B, Warner I, Shin T, Biorac T, Ryder NS, Goldberg R, Doughty J, He Y
Bioorg Med Chem Lett 14 1477-81 (2004)
PMID: 15006385

Function and Biology Details

Reaction catalysed: 
Formyl-L-methionyl peptide + H(2)O = formate + methionyl peptide
Biochemical function:
Biological process:
Cellular component:
  • not assigned
Sequence domains:
Structure domain:

Structure analysis Details

Assembly composition:
monomeric (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-191502 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peptide deformylase Chains: A, B
Molecule details ›
Chains: A, B
Length: 180 amino acids
Theoretical weight: 20.87 KDa
Source organism: Pseudomonas aeruginosa
Expression system: Escherichia coli
UniProt:
  • Canonical: Q9I7A8 (Residues: 1-168; Coverage: 100%)
Gene names: PA0019, def
Sequence domains: Polypeptide deformylase
Structure domains: Peptide deformylase

Ligands and Environments

3 bound ligands:
Ligand NI 2 x NI
Ligand GNR 2 x GNR
Ligand GOL 1 x GOL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: RIGAKU
Spacegroup: P212121
Unit cell:
a: 69.009Å b: 73.994Å c: 76.864Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.196 0.196 0.233
Expression system: Escherichia coli

Quick links

Citations

2 review citations

Challenges of antibacterial discovery.
Silver LL. (2011)
1 more

2 mentions without citation

The Search for Herbal Antibiotics: An In-Silico Investigation of Antibacterial Phytochemicals.
Snow Setzer et al. (2016)
1 more