PDB entry 3vs6

View 3vs6 on RCSB PDB site
Description: Crystal structure of HCK complexed with a pyrazolo-pyrimidine inhibitor tert-butyl {4-[4-amino-1-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl}carbamate
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: 2.37 Å
R-factor: 0.233
AEROSPACI score: 0.31 (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: d3vs6a1, d3vs6a2, d3vs6a3, d3vs6a4
  • 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: d3vs6b1, d3vs6b2, d3vs6b3, d3vs6b4
  • Heterogens: CA, CL, VSH, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3vs6A (A:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vs6A (A:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipr
    eslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvk
    lhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyih
    rdlraanilvsaslvckiadfglarvifpikwtapeainfgsftiksdvwsfgillmeiv
    tygripypgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvl
    ddfytatesqyeeip
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3vs6B (B:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vs6B (B:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipr
    eslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvk
    lhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyih
    rdlraanilvsaslvckiadfglarvifpikwtapeainfgsftiksdvwsfgillmeiv
    tygripypgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvl
    ddfytatesqyeeip