PDB entry 3vs0

View 3vs0 on RCSB PDB site
Description: Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor N-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]benzamide
Class: transferase/transferase inhibitor
Keywords: kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2012-04-21, released 2013-05-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2013-05-01, with a file datestamp of 2013-04-26.
Experiment type: XRAY
Resolution: 2.93 Å
R-factor: 0.24
AEROSPACI score: 0.21 (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 (8-453)
      • expression tag (7)
      • engineered mutation (450-452)
    Domains in SCOPe 2.07: d3vs0a1, d3vs0a2, d3vs0a3, d3vs0a4
  • Chain 'B':
    Compound: Tyrosine-protein kinase HCK
    Species: Homo sapiens [TaxId:9606]
    Gene: HCK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P08631 (8-453)
      • expression tag (7)
      • engineered mutation (450-452)
    Domains in SCOPe 2.07: d3vs0b1, d3vs0b2, d3vs0b3, d3vs0b4
  • Heterogens: CA, CL, VS0, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3vs0A (A:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vs0A (A:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irgfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipreslkl
    ekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvklhavv
    tkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyihrdlra
    anilvsaslvckiadfglarvipikwtapeainfgsftiksdvwsfgillmeivtygrip
    ypgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvlddfyta
    tesqyeeip
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3vs0B (B:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vs0B (B:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipr
    eslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvk
    lhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyih
    rdlraanilvsaslvckiadfglarvipikwtapeainfgsftiksdvwsfgillmeivt
    ygripypgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvld
    dfytatesqyeeip