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› 4pnu

X-ray diffraction
1.9Å resolution

E. coli sliding clamp in complex with (R)-6-bromo-9-(2-((R)-1-carboxy-2-phenylethylamino)-2-oxoethyl)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

Released:
DOI: 10.2210/pdb4pnu/pdb
Model geometry
Fit model/data
PDB entry 4pnu coloured by chain, front view.
PDB entry 4pnu coloured by chain, side view.
PDB entry 4pnu coloured by chain, top view.
Source organism: Escherichia coli str. K-12 substr. MC4100
Primary publication:
Bacterial Sliding Clamp Inhibitors that Mimic the Sequential Binding Mechanism of Endogenous Linear Motifs.
Yin Z, Whittell LR, Wang Y, Jergic S, Ma C, Lewis PJ, Dixon NE, Beck JL, Kelso MJ, Oakley AJ
J Med Chem 58 4693-702 (2015)
PMID: 25970224

Function and Biology Details

Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assembly composition:
homo dimer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-165036 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
DNA polymerase III subunit beta Chains: A, B
Molecule details ›
Chains: A, B
Length: 366 amino acids
Theoretical weight: 40.63 KDa
Source organism: Escherichia coli str. K-12 substr. MC4100
Expression system: Escherichia coli
Structure domains: DNA Polymerase III, subunit A, domain 2

Ligands and Environments

4 bound ligands:
Ligand PEG 5 x PEG
Ligand CA 2 x CA
Ligand 2VD 2 x 2VD
Ligand CL 2 x CL
No modified residues

Experiments and Validation Details

wwPDB Validation report is not available for this entry.
X-ray source: RIGAKU MICROMAX-007 HF
Spacegroup: P21
Unit cell:
a: 79.895Å b: 67.193Å c: 81.016Å
α: 90° β: 114.54° γ: 90°
R-values:
R R work R free
0.185 0.182 0.231
Expression system: Escherichia coli

Quick links

Citations

4 review citations

Protein-protein interactions as antibiotic targets: A medicinal chemistry perspective.
Cossar et al. (2020)
3 more

1 mention without citation

Modulators of protein-protein interactions as antimicrobial agents.
Kahan et al. (2021)