PDB entry 5qcm

View 5qcm on RCSB PDB site
Description: FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl ~{N}-[4-[[(1~{S})-2-[(~{E})-3-[3-chloranyl-2-fluoranyl-6-(1,2,3,4-tetrazol-1-yl)phenyl]prop-2-enoyl]-3,4-dihydro-1~{H}-isoquinolin-1-yl]carbonylamino]phenyl]carbamate
Class: HYDROLASE/HYDROLASE inhibitor
Keywords: HYDROLASE, SERINE PROTEASE, BLOOD COAGULATION FACTOR, PROTEIN INHIBITOR COMPLEX, HYDROLASE-HYDROLASE inhibitor complex
Deposited on 2017-08-10, released 2017-11-08
The last revision prior to the SCOPe 2.08 freeze date was dated 2018-02-21, with a file datestamp of 2018-02-16.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Coagulation factor XI
    Species: Homo sapiens [TaxId:9606]
    Gene: F11
    Database cross-references and differences (RAF-indexed):
    • Uniprot P03951 (0-237)
      • conflict (103)
      • conflict (105)
    Domains in SCOPe 2.08: d5qcma_
  • Heterogens: BVJ, SO4, EDO, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5qcmA (A:)
ivggtasvrgewpwqvtlhttsptqrhlcggsiignqwiltaahcfygvespkilrvysg
ilnqseikedtsffgvqeiiihdqykmaesgydiallklettvgygdsqrpiclpskgdr
nviytdcwvtgwgyrklrdkiqntlqkakiplvtneecqkryrghkithkmicagyregg
kdackgdsggplsckhnevwhlvgitswgegcaqrerpgvytnvveyvdwilektqavhh
hhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >5qcmA (A:)
ivggtasvrgewpwqvtlhttsptqrhlcggsiignqwiltaahcfygvespkilrvysg
ilnqseikedtsffgvqeiiihdqykmaesgydiallklettvgygdsqrpiclpskgdr
nviytdcwvtgwgyrklrdkiqntlqkakiplvtneecqkryrghkithkmicagyregg
kdackgdsggplsckhnevwhlvgitswgegcaqrerpgvytnvveyvdwilektqav