› 4n98

X-ray diffraction
1.7Å resolution

E. coli sliding clamp in complex with 4'-fluorobiphenyl-4-carboxylic acid

Released:
DOI: 10.2210/pdb4n98/pdb
PDB entry 4n98 coloured by chain, front view.
PDB entry 4n98 coloured by chain, side view.
PDB entry 4n98 coloured by chain, top view.
Source organism: Escherichia coli K-12
Primary publication:
Discovery of lead compounds targeting the bacterial sliding clamp using a fragment-based approach.
Yin Z, Whittell LR, Wang Y, Jergic S, Liu M, Harry EJ, Dixon NE, Beck JL, Kelso MJ, Oakley AJ
J Med Chem 57 2799-806 (2014)
PMID: 24592885

Function and Biology Details

Reaction catalysed: 
Deoxynucleoside triphosphate + DNA(n) = diphosphate + DNA(n+1)
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-141822 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Beta sliding clamp Chains: A, B
Molecule details ›
Chains: A, B
Length: 366 amino acids
Theoretical weight: 40.63 KDa
Source organism: Escherichia coli K-12
Expression system: Escherichia coli
UniProt:
  • Canonical: P0A988 (Residues: 1-366; Coverage: 100%)
Gene names: JW3678, b3701, dnaN
Sequence domains:
Structure domains: DNA Polymerase III, subunit A, domain 2

Ligands and Environments

4 bound ligands:
Ligand 4FC 1 x 4FC
Ligand CA 9 x CA
Ligand PEG 2 x PEG
Ligand CL 1 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P21
Unit cell:
a: 79.9Å b: 67.16Å c: 81.06Å
α: 90° β: 114.11° γ: 90°
R-values:
R R work R free
0.258 0.256 0.296
Expression system: Escherichia coli

Quick links

Citations

10 review citations

Overcoming Chemical, Biological, and Computational Challenges in the Development of Inhibitors Targeting Protein-Protein Interactions.
Laraia et al. (2015)
9 more