› 6cbi

X-ray diffraction
2.75Å resolution

PCNA in complex with inhibitor

Released:
DOI: 10.2210/pdb6cbi/pdb
PDB entry 6cbi coloured by chain, front view.
PDB entry 6cbi coloured by chain, side view.
PDB entry 6cbi coloured by chain, top view.
Source organism: Homo sapiens
Primary publication:
Rational Design of a 310 -Helical PIP-Box Mimetic Targeting PCNA, the Human Sliding Clamp.
Wegener KL, McGrath AE, Dixon NE, Oakley AJ, Scanlon DB, Abell AD, Bruning JB
Chemistry 24 11325-11331 (2018)
PMID: 29917264

Function and Biology Details

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

Structure analysis Details

Assemblies composition:
hetero hexamer
hetero tetramer (preferred)
Assembly name:
PDBe Complex ID:
PDB-CPX-146045 (preferred)
Entry contents:
2 distinct polypeptide molecules
Macromolecules (2 distinct):
Proliferating cell nuclear antigen Chains: A, B, C, D, E, F
Molecule details ›
Chains: A, B, C, D, E, F
Length: 261 amino acids
Theoretical weight: 28.8 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: P12004 (Residues: 1-261; Coverage: 100%)
Gene name: PCNA
Sequence domains:
Structure domains: Proliferating Cell Nuclear Antigen
Cyclin-dependent kinase inhibitor 1 Chains: H, I, J, K
Molecule details ›
Chains: H, I, J, K
Length: 14 amino acids
Theoretical weight: 1.8 KDa
Source organism: Homo sapiens
Expression system: Not provided
UniProt:
  • Canonical: P38936 (Residues: 139-152; Coverage: 9%)
Gene names: CAP20, CDKN1, CDKN1A, CIP1, MDA6, PIC1, SDI1, WAF1

Ligands and Environments

1 bound ligand:
Ligand SO4 2 x SO4
1 modified residue:
Ligand DAB 4 x DAB

Experiments and Validation Details

Entry percentile scores
X-ray source: AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Spacegroup: P212121
Unit cell:
a: 78.26Å b: 144.82Å c: 174.48Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.21 0.208 0.252
Expression systems:
  • Escherichia coli BL21(DE3)
  • Not provided

Quick links

Citations

2 review citations

Targeting Non-Oncogene Addiction for Cancer Therapy.
Chang et al. (2021)
1 more

2 mentions without citation

Prediction of network pharmacology, molecular docking-based strategy, and vitro assays to determine potential pharmacological mechanism of Dioscoreae bulbiferae and Bruceae fructus against laryngocarcinoma.
Wu et al. (2023)
1 more