› 4n95

X-ray diffraction
1.8Å resolution

E. coli sliding clamp in complex with 5-chloroindoline-2,3-dione

Released:
DOI: 10.2210/pdb4n95/pdb
PDB entry 4n95 coloured by chain, front view.
PDB entry 4n95 coloured by chain, side view.
PDB entry 4n95 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

6 bound ligands:
Ligand PG4 2 x PG4
Ligand PEG 5 x PEG
Ligand 2HQ 1 x 2HQ
Ligand CL 1 x CL
Ligand PGE 1 x PGE
Ligand CA 4 x CA
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P1
Unit cell:
a: 40.72Å b: 64.04Å c: 71.7Å
α: 73.88° β: 82.29° γ: 84.03°
R-values:
R R work R free
0.188 0.186 0.224
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

1 mention without citation

Screening of E. coli β-clamp Inhibitors Revealed that Few Inhibit Helicobacter pylori More Effectively: Structural and Functional Characterization.
Pandey et al. (2018)