PDB entry 4cre

View 4cre on RCSB PDB site
Description: Creating novel F1 inhibitors through fragment based lead generation and structure aided drug design
Class: hydrolase
Keywords: hydrolase
Deposited on 2014-02-26, released 2015-02-11
The last revision prior to the SCOPe 2.07 freeze date was dated 2015-02-11, with a file datestamp of 2015-02-06.
Experiment type: XRAY
Resolution: 1.73 Å
R-factor: 0.174
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Coagulation factor XI
    Species: Homo sapiens [TaxId:9606]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03951 (0-237)
      • engineered mutation (64)
      • engineered mutation (67)
      • engineered mutation (105)
      • engineered mutation (112)
      • conflict (118)
    Domains in SCOPe 2.07: d4crea_
  • Heterogens: MVN, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4creA (A:)
    ivggtasvrgewpwqvtlhttsptqrhlcggsiignqwiltaahcfygvespkilrvysg
    ilnqaeiaedtsffgvqeiiihdqykmaesgydiallklettvnyadsqrpislpskger
    nviytdcwvtgwgyrklrdkiqntlqkakiplvtneecqkryrghkithkmicagyregg
    kdackgdsggplsckhnevwhlvgitswgegcaqrerpgvytnvveyvdwilektqav