PDB entry 3vs4

View 3vs4 on RCSB PDB site
Description: Crystal structure of HCK complexed with a pyrrolo-pyrimidine inhibitor 5-(4-phenoxyphenyl)-7-(tetrahydro-2H-pyran-4-yl)-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 2.07 freeze date was dated 2013-05-01, with a file datestamp of 2013-04-26.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: 0.208
AEROSPACI score: 0.28 (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: d3vs4a1, d3vs4a2, d3vs4a3, d3vs4a4
  • 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: d3vs4b1, d3vs4b2, d3vs4b3, d3vs4b4
  • Heterogens: CA, CL, VSF, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3vs4A (A:)
gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
cwknrpeerptfeyiqsvlddfytatesqyeeip

    Sequence, based on observed residues (ATOM records): (download) 
    >3vs4A (A:)
riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
irfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipreslkle
kklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvklhavvt
kepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyihrdlraa
nilvsaslvckiadfglarviefpikwtapeainfgsftiksdvwsfgillmeivtygri
pypgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvlddfyt
atesqyeeip

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3vs4B (B:)
gamgsgiriivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsny
varvdsleteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqg
dtvkhykirtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwek
daweipreslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktl
qhdklvklhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafi
eqrnyihrdlraanilvsaslvckiadfglarviedneytaregakfpikwtapeainfg
sftiksdvwsfgillmeivtygripypgmsnpeviralergyrmprpencpeelynimmr
cwknrpeerptfeyiqsvlddfytatesqyeeip

    Sequence, based on observed residues (ATOM records): (download) 
    >3vs4B (B:)
riivvalydyeaihhedlsfqkgdqmvvleesgewwkarslatrkegyipsnyvarvdsl
eteewffkgisrkdaerqllapgnmlgsfmirdsettkgsyslsvrdydprqgdtvkhyk
irtldnggfyisprstfstlqelvdhykkgndglcqklsvpcmsskpqkpwekdaweipr
eslklekklgagqfgevwmatynkhtkvavktmkpgsmsveaflaeanvmktlqhdklvk
lhavvtkepiyiitefmakgslldflksdegskqplpklidfsaqiaegmafieqrnyih
rdlraanilvsaslvckiadfglarvifpikwtapeainfgsftiksdvwsfgillmeiv
tygripypgmsnpeviralergyrmprpencpeelynimmrcwknrpeerptfeyiqsvl
ddfytatesqyeeip