PDB entry 5jrs

View 5jrs on RCSB PDB site
Description: crystal structure of bruton agammaglobulinemia tyrosine kinase complexed with 4-[2-fluoro-3-(4-oxo -3,4-dihydroquinazolin-3-yl)phenyl]-7-(2-hydroxypropan-2-y l)-9h-carbazole-1-carboxamide
Class: TRANSFERASE/TRANSFERASE inhibitor
Keywords: KINASE, BTK, PROTEIN INHIBITOR COMPLEX, TRANSFERASE-TRANSFERASE inhibitor complex
Deposited on 2016-05-06, released 2016-08-31
The last revision prior to the SCOPe 2.07 freeze date was dated 2016-09-21, with a file datestamp of 2016-09-16.
Experiment type: XRAY
Resolution: 1.97 Å
R-factor: N/A
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase BTK
    Species: Homo sapiens [TaxId:9606]
    Gene: BTK, AGMX1, ATK, BPK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q06187 (3-End)
      • expression tag (2)
    Domains in SCOPe 2.07: d5jrsa1, d5jrsa2
  • Chain 'B':
    Compound: Tyrosine-protein kinase BTK
    Species: Homo sapiens [TaxId:9606]
    Gene: BTK, AGMX1, ATK, BPK
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q06187 (3-End)
      • expression tag (2)
    Domains in SCOPe 2.07: d5jrsb1, d5jrsb2
  • Heterogens: 6MV, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5jrsA (A:)
    ghmeidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegsmsedefieeakvmmnl
    sheklvqlygvctkqrpifiiteymangcllnylremrhrfqtqqllemckdvceameyl
    eskqflhrdlaarnclvndqgvvkvsdfglsryvlddeytssvgskfpvrwsppevlmys
    kfssksdiwafgvlmweiyslgkmpyerftnsetaehiaqglrlyrphlasekvytimys
    cwhekaderptfkillsnildvmdees
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jrsA (A:)
    meidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegsmsedefieeakvmmnlsh
    eklvqlygvctkqrpifiiteymangcllnylrefqtqqllemckdvceameyleskqfl
    hrdlaarnclvndqgvvkvsdfglsryvlddeytssvgskfpvrwsppevlmyskfssks
    diwafgvlmweiyslgkmpyerftnsetaehiaqglrlyrphlasekvytimyscwheka
    derptfkillsnildvmd
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >5jrsB (B:)
    ghmeidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegsmsedefieeakvmmnl
    sheklvqlygvctkqrpifiiteymangcllnylremrhrfqtqqllemckdvceameyl
    eskqflhrdlaarnclvndqgvvkvsdfglsryvlddeytssvgskfpvrwsppevlmys
    kfssksdiwafgvlmweiyslgkmpyerftnsetaehiaqglrlyrphlasekvytimys
    cwhekaderptfkillsnildvmdees
    

    Sequence, based on observed residues (ATOM records): (download)
    >5jrsB (B:)
    meidpkdltflkelgtgqfgvvkygkwrgqydvaikmiksmsedefieeakvmmnlshek
    lvqlygvctifiiteymangcllnylrefqtqqllemckdvceameyleskqflhrdlaa
    rnclvndqgvvkvsdfglsryvkfpvrwsppevlmyskfssksdiwafgvlmweiyslgk
    mpyerftnsetaehiaqglrlyrphlasekvytimyscwhekaderptfkillsnildvm