PDB entry 4y8y

View 4y8y on RCSB PDB site
Description: Factor XIa in complex with the inhibitor methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-3-(morpholin-4-yl)-3-oxopropyl]-1H-imidazol-5-yl}phenyl)carbamate
Class: hydrolase/hydrolase inhibitor
Keywords: hydrolase, serine protease, blood coagulation factor, protein inhibitor complex, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2015-02-16, released 2015-05-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-04-18, with a file datestamp of 2018-04-13.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: coagulation factor xia
    Species: Homo sapiens [TaxId:9606]
    Gene: F11
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03951 (0-237)
      • engineered mutation (103)
      • engineered mutation (105)
    Domains in SCOPe 2.08: d4y8ya_
  • Heterogens: 4D5, SO4, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4y8yA (A:)
ivggtasvrgewpwqvtlhttsptqrhlcggsiignqwiltaahcfygvespkilrvysg
ilnqseikedtsffgvqeiiihdqykmaesgydiallklettvgygdsqrpiclpskgdr
nviytdcwvtgwgyrklrdkiqntlqkakiplvtneecqkryrghkithkmicagyregg
kdackgdsggplsckhnevwhlvgitswgegcaqrerpgvytnvveyvdwilektqavhh
hhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >4y8yA (A:)
ivggtasvrgewpwqvtlhttsptqrhlcggsiignqwiltaahcfygvespkilrvysg
ilnqseikedtsffgvqeiiihdqykmaesgydiallklettvgygdsqrpiclpskgdr
nviytdcwvtgwgyrklrdkiqntlqkakiplvtneecqkryrghkithkmicagyregg
kdackgdsggplsckhnevwhlvgitswgegcaqrerpgvytnvveyvdwilektqav