PDB entry 4nwm

View 4nwm on RCSB PDB site
Description: Crystal structure of Bruton agammaglobulinemia tyrosine kinase complexed with BMS-809959 aka 4-tert-butyl-n-[2-me thyl-3-(6-{[4-(morpholine-4-carbonyl)phenyl]amino}-9h- purin-2-yl)phenyl]benzamide
Class: transferase/transferase inhibitor
Keywords: KINASE, BTK, ATK, XLA, PSCTK1, AGMX1, AT, IMD1, MGC126261, MGC126262 BPK, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-12-06, released 2014-04-02
The last revision prior to the SCOPe 2.04 freeze date was dated 2014-04-02, with a file datestamp of 2014-03-28.
Experiment type: XRAY
Resolution: 2.03 Å
R-factor: 0.197
AEROSPACI score: 0.36 (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 (1-262)
      • initiating methionine (0)
    Domains in SCOPe 2.04: d4nwma_
  • 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 (1-262)
      • initiating methionine (0)
    Domains in SCOPe 2.04: d4nwmb_
  • Heterogens: 2P5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4nwmA (A:)
    meidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegsmsedefieeakvmmnlsh
    eklvqlygvctkqrpifiiteymangcllnylremrhrfqtqqllemckdvceameyles
    kqflhrdlaarnclvndqgvvkvsdfglsryvlddeytssvgskfpvrwsppevlmyskf
    ssksdiwafgvlmweiyslgkmpyerftnsetaehiaqglrlyrphlasekvytimyscw
    hekaderptfkillsnildvmde
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nwmA (A:)
    meidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegsmsedefieeakvmmnlsh
    eklvqlygvctkqrpifiiteymangcllnylrerhrfqtqqllemckdvceameylesk
    qflhrdlaarnclvndqgvvkvsdfglsryvlddeytssvgskfpvrwsppevlmyskfs
    sksdiwafgvlmweiyslgkmpyerftnsetaehiaqglrlyrphlasekvytimyscwh
    ekaderptfkillsnildvmde
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4nwmB (B:)
    meidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegsmsedefieeakvmmnlsh
    eklvqlygvctkqrpifiiteymangcllnylremrhrfqtqqllemckdvceameyles
    kqflhrdlaarnclvndqgvvkvsdfglsryvlddeytssvgskfpvrwsppevlmyskf
    ssksdiwafgvlmweiyslgkmpyerftnsetaehiaqglrlyrphlasekvytimyscw
    hekaderptfkillsnildvmde
    

    Sequence, based on observed residues (ATOM records): (download)
    >4nwmB (B:)
    meidpkdltflkelgtgqfgvvkygkwrgqydvaikmikegsmsedefieeakvmmnlsh
    eklvqlygvctkqrpifiiteymangcllnylrerhrfqtqqllemckdvceameylesk
    qflhrdlaarnclvndqgvvkvsdfglsryvlddeytssvgskfpvrwsppevlmyskfs
    sksdiwafgvlmweiyslgkmpyerftnsetaehiaqglrlyrphlasekvytimyscwh
    ekaderptfkillsnildvmde