PDB entry 4agn

View 4agn on RCSB PDB site
Description: Structure of the p53 core domain mutant Y220C bound to the stabilizing small molecule PhiKan5116
Class: cell cycle
Keywords: transcription, cell cycle, apoptosis, cancer mutation, surface crevice, small-molecule drug, protein stabilization, halogen bonding, acetylene linker, zinc binding
Deposited on 2012-01-30, released 2012-03-21
The last revision prior to the SCOPe 2.05 freeze date was dated 2012-05-02, with a file datestamp of 2012-04-27.
Experiment type: XRAY
Resolution: 1.6 Å
R-factor: 0.1752
AEROSPACI score: 0.6 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Cellular tumor antigen p53
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04637
      • engineered mutation (39)
      • engineered mutation (109)
      • engineered mutation (126)
      • engineered mutation (145)
      • engineered mutation (174)
    Domains in SCOPe 2.05: d4agna_
  • Chain 'B':
    Compound: Cellular tumor antigen p53
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P04637 (0-End)
      • engineered mutation (39)
      • engineered mutation (109)
      • engineered mutation (126)
      • engineered mutation (145)
      • engineered mutation (174)
    Domains in SCOPe 2.05: d4agnb_
  • Heterogens: ZN, NXG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4agnA (A:)
sssvpsqktyqgsygfrlgflhsgtaksvtctyspalnklfcqlaktcpvqlwvdstppp
gtrvramaiykqsqhmtevvrrcphhercsdsdglappqhlirvegnlraeylddrntfr
hsvvvpceppevgsdcttihynymcysscmggmnrrpiltiitledssgnllgrdsfevr
vcacpgrdrrteeenlrkkgephhelppgstkralpnnt

    Sequence, based on observed residues (ATOM records): (download) 
    >4agnA (A:)
svpsqktyqgsygfrlgflhsgtaksvtctyspalnklfcqlaktcpvqlwvdstpppgt
rvramaiykqsqhmtevvrrcphhercsdsdglappqhlirvegnlraeylddrntfrhs
vvvpceppevgsdcttihynymcysscmggmnrrpiltiitledssgnllgrdsfevrvc
acpgrdrrteeenlrkk

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4agnB (B:)
sssvpsqktyqgsygfrlgflhsgtaksvtctyspalnklfcqlaktcpvqlwvdstppp
gtrvramaiykqsqhmtevvrrcphhercsdsdglappqhlirvegnlraeylddrntfr
hsvvvpceppevgsdcttihynymcysscmggmnrrpiltiitledssgnllgrdsfevr
vcacpgrdrrteeenlrkkgephhelppgstkralpnnt

    Sequence, based on observed residues (ATOM records): (download) 
    >4agnB (B:)
sssvpsqktyqgsygfrlgflhsgtaksvtctyspalnklfcqlaktcpvqlwvdstppp
gtrvramaiykqsqhmtevvrrcphhercsdsdglappqhlirvegnlraeylddrntfr
hsvvvpceppevgsdcttihynymcysscmggmnrrpiltiitledssgnllgrdsfevr
vcacpgrdrrteeenlr