PDB entry 5qtw

View 5qtw on RCSB PDB site
Description: FACTOR XIA IN COMPLEX WITH THE INHIBITOR methyl (2R,7S)-7-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-14-[(methoxycarbonyl)amino]-2,3,4,5,6,7-hexahydro-1H-8,11-epimino-1,9-benzodiazacyclotridecine-2-carboxylate
Class: HYDROLASE/HYDROLASE inhibitor
Keywords: HYDROLASE, SERINE PROTEASE, BLOOD COAGULATION FACTOR, PROTEIN INHIBITOR COMPLEX, HYDROLASE-HYDROLASE inhibitor complex
Deposited on 2019-11-13, released 2020-01-29
The last revision prior to the SCOPe 2.07 freeze date was dated 2020-01-29, with a file datestamp of 2020-01-24.
Experiment type: XRAY
Resolution: 2.12 Å
R-factor: N/A
AEROSPACI score: 0.28 (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 2.07: d5qtwa_
  • Heterogens: QLM, SO4, EDO, HOH

PDB Chain Sequences:

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

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