PDB entry 3vs1

View 3vs1 on RCSB PDB site
Description: Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 1-[4-(4-amino-7-cyclopentyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)phenyl]-3-phenylurea
Class: transferase/transferase inhibitor
Keywords: tyrosine 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: 2.46 Å
R-factor: 0.242
AEROSPACI score: 0.29 (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: d3vs1a1, d3vs1a2, d3vs1a3, d3vs1a4
  • 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: d3vs1b1, d3vs1b2, d3vs1b3, d3vs1b4
  • Heterogens: CA, CL, VSA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3vs1A (A:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vs1A (A:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irsprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipreslklekkl
    gagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvklhavvtkep
    iyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyihrdlraanil
    vsaslvckiadfglarvipikwtapeainfgsftiksdvwsfgillmeivtygripypgm
    snpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvlddfytatesq
    yeeip
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3vs1B (B:)
    gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
    varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
    dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
    daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
    qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
    eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
    sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
    cwknrpeerptfeyiqsvlddfytatesqyeeip
    

    Sequence, based on observed residues (ATOM records): (download)
    >3vs1B (B:)
    riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
    eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
    irtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipr
    eslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvk
    lhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyih
    rdlraanilvsaslvckiadfglarvipikwtapeainfgsftiksdvwsfgillmeivt
    ygripypgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvld
    dfytatesqyeeip