PDB entry 5tnt

View 5tnt on RCSB PDB site
Description: Discovery of novel aminobenzisoxazole derivatives as orally available factor IXa inhibitors
Class: HYDROLASE/HYDROLASE inhibitor
Keywords: serine proteinase, blood coagulation, coagulation factor, hydrolase-2, hydrolase inhibitor complex, hydrolase-hydrolase inhibitor complex
Deposited on 2016-10-14, released 2017-04-26
The last revision prior to the SCOPe 2.06 freeze date was dated 2017-04-26, with a file datestamp of 2017-04-21.
Experiment type: XRAY
Resolution: 1.4 Å
R-factor: N/A
AEROSPACI score: 0.53 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: coagulation factor ix
    Species: Homo sapiens [TaxId:9606]
    Gene: F9
    Database cross-references and differences (RAF-indexed):
    • Uniprot P00740 (0-234)
      • engineered mutation (137)
    Domains in SCOPe 2.06: d5tnta_
  • Chain 'B':
    Compound: coagulation factor ix
    Species: Homo sapiens [TaxId:9606]
    Gene: F9
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d5tntb_
  • Heterogens: 7GQ, NA, NHE, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >5tntA (A:)
vvggedakpgqfpwqvvlngkvdafcggsivnekwivtaahcvetgvkitvvagehniee
tehteqkrnviriiphhnynaainkynhdialleldeplvlnsyvtpiciadkeytnifl
kfgsgyvsgwgrvfhkgasalvlqylrvplvdratclrstkftiynnmfcagfheggrds
cqgdsggphvtevegtsfltgiiswgeecamkgkygiytkvsryvnwikektklt

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5tntB (B:)
mdvtcnikngrceqfcknsadnkvvcsctegyrlaenqkscepavpfpcgrvsvsqtskl
tr

    Sequence, based on observed residues (ATOM records): (download) 
    >5tntB (B:)
dvtcnikngrceqfcknsadnkvvcsctegyrlaenqkscepavpfpcgrvsvsq