PDB entry 5f6x

View 5f6x on RCSB PDB site
Description: Crystal structure of Ubc9 (K48/K49A/E54A) complexed with Fragment 2 (mercaptobenzoxazole from cocktail screen)
Class: LIGASE/LIGASE inhibitor
Keywords: Ubc9, Fragment drug design, sumoylation, LIGASE-LIGASE inhibitor complex
Deposited on 2015-12-07, released 2016-04-27
The last revision prior to the SCOPe 2.06 freeze date was dated 2016-04-27, with a file datestamp of 2016-04-22.
Experiment type: XRAY
Resolution: 1.56 Å
R-factor: N/A
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: SUMO-conjugating enzyme UBC9
    Species: Homo sapiens [TaxId:9606]
    Gene: UBE2I, UBC9, UBCE9
    Database cross-references and differences (RAF-indexed):
    • Uniprot P63279 (0-End)
      • engineered mutation (46-47)
      • engineered mutation (52)
    Domains in SCOPe 2.06: d5f6xa_
  • Heterogens: 5VM, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5f6xA (A:)
    sgialsrlaqerkawrkdhpfgfvavptknpdgtmnlmnwecaipgaagtpwagglfklr
    mlfkddypssppkckfepplfhpnvypsgtvclsileedkdwrpaitikqillgiqelln
    epniqdpaqaeaytiycqnrveyekrvraqakkfaps
    

    Sequence, based on observed residues (ATOM records): (download)
    >5f6xA (A:)
    sgialsrlaqerkawrkdhpfgfvavptknpdgtmnlmnwecaipgaagtpwagglfklr
    mlfkddypssppkckfepplfhpnvypsgtvclsileedkdwrpaitikqillgiqelln
    epniqdpaqaeaytiycqnrveyekrvraqakkfap