PDB entry 3vs5

View 3vs5 on RCSB PDB site
Description: Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 7-(1-methylpiperidin-4-yl)-5-(4-phenoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
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 2.06 freeze date was dated 2013-05-01, with a file datestamp of 2013-04-26.
Experiment type: XRAY
Resolution: 2.85 Å
R-factor: 0.259
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 2.06: d3vs5a1, d3vs5a2, d3vs5a3, d3vs5a4
  • 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 2.06: d3vs5b1, d3vs5b2, d3vs5b3, d3vs5b4
  • Heterogens: VSG, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3vs5A (A:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vs5A (A:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irtgfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipreslk
    lekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvklhav
    vtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyihrdlr
    aanilvsaslvckiadfglarvipikwtapeainfgsftiksdvwsfgillmeivtygri
    pypgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvlddfyt
    atesqyeeip
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3vs5B (B:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vs5B (B:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipreslkle
    kklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvklhavvt
    kepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyihrdlraa
    nilvsaslvckiadfglarvipikwtapeainfgsftiksdvwsfgillmeivtygripy
    pgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvlddfytat
    esqyeeip