PDB entry 4lue

View 4lue on RCSB PDB site
Description: Crystal Structure of HCK in complex with 7-[trans-4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (resulting from displacement of SKF86002)
Class: transferase/transferase inhibitor
Keywords: cocrystallization, SKF86002, fluorescence, inhibitor screening, kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-07-25, released 2014-02-12
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-02-12, with a file datestamp of 2014-02-07.
Experiment type: XRAY
Resolution: 3.04 Å
R-factor: 0.208
AEROSPACI score: 0.18 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Tyrosine-protein kinase HCK
    Species: Homo sapiens [TaxId:9606]
    Gene: HCK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P08631 (8-End)
      • expression tag (7)
      • engineered mutation (450-452)
    Domains in SCOPe 2.07: d4luea1, d4luea2, d4luea3, d4luea4
  • Chain 'B':
    Compound: Tyrosine-protein kinase HCK
    Species: Homo sapiens [TaxId:9606]
    Gene: HCK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P08631 (8-End)
      • expression tag (7)
      • engineered mutation (450-452)
    Domains in SCOPe 2.07: d4lueb1, d4lueb2, d4lueb3, d4lueb4
  • Heterogens: CA, VSE, CL, GOL, IMD, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4lueA (A:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >4lueA (A:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irtgfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipreslk
    lekklgagqfgevwmatynkhtkvavktmkpgslaeanvmktlqhdklvklhavvtkepi
    yiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyihrdlraanilv
    saslvckiadfglarvipikwtapeainfgsftiksdvwsfgillmeivtygripypgms
    npeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvlddfytatesqy
    eei
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4lueB (B:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >4lueB (B:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irtgfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipreslk
    lekklgagqfgevwmatynkhtkvavktmkplaeanvmktlqhdklvklhavvtkepiyi
    itefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyihrdlraanilvsa
    slvckiadfglarvipikwtapeainftiksdvwsfgillmeivtygripypgmsnpevi
    ralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvlddfytatesqyeei