PDB entry 4q1f

View 4q1f on RCSB PDB site
Description: Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 12R {N-{2-[5-(4-{(1R)-1-[(4,6-diaminopyrimidin-2-yl)sulfanyl]ethyl}-5-methyl-1,3-thiazol-2-yl)-2-methoxyphenoxy]ethyl}methanesulfonamide}
Class: transferase/transferase inhibitor
Keywords: PHOSPHORYL TRANSFER, PHOSPHORYLATION, DEOXYCYTIDINE, TRANSFERASE, INHIBITOR COMPLEX, kinase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-04-03, released 2014-11-05
The last revision prior to the SCOPe 2.08 freeze date was dated 2014-12-17, with a file datestamp of 2014-12-12.
Experiment type: XRAY
Resolution: 2.1 Å
R-factor: 0.206
AEROSPACI score: 0.33 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Deoxycytidine kinase
    Species: Homo sapiens [TaxId:9606]
    Gene: DCK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P27707 (Start-279)
      • engineered mutation (64)
      • engineered mutation (78)
      • engineered mutation (93)
      • engineered mutation (165)
    Domains in SCOPe 2.08: d4q1fa_
  • Chain 'B':
    Compound: Deoxycytidine kinase
    Species: Homo sapiens [TaxId:9606]
    Gene: DCK
    Database cross-references and differences (RAF-indexed):
    • Uniprot P27707 (Start-279)
      • engineered mutation (64)
      • engineered mutation (78)
      • engineered mutation (93)
      • engineered mutation (165)
    Domains in SCOPe 2.08: d4q1fb_
  • Heterogens: UDP, 2XN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4q1fA (A:)
mgsshhhhhhssglvprgshmatppkrsspsfsassegtrikkisiegniaagkstfvni
lkqlsedwevvpepvarwsnvqstqdefeeltmeqknggnvlqmmyekperwsftfqtya
clsriraqlaslngklkdaekpvlffersvysdryifasnlyesesmnetewtiyqdwhd
wmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleyleklhykheswllhrt
lktnfdylqevpiltldvnedfkdkyeslvekvkeflstl

    Sequence, based on observed residues (ATOM records): (download) 
    >4q1fA (A:)
rikkisiegniaagkstfvnilkqlsedwevvpepvarwsnltmeqknggnvlqmmyekp
erwsftfqtyaclsriraqlaslngklkdaekpvlffersvysdryifasnlyesesmne
tewtiyqdwhdwmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleyleklh
ykheswllhrtlktnfdylqevpiltldvnedfkdkyeslvekvkeflstl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4q1fB (B:)
mgsshhhhhhssglvprgshmatppkrsspsfsassegtrikkisiegniaagkstfvni
lkqlsedwevvpepvarwsnvqstqdefeeltmeqknggnvlqmmyekperwsftfqtya
clsriraqlaslngklkdaekpvlffersvysdryifasnlyesesmnetewtiyqdwhd
wmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleyleklhykheswllhrt
lktnfdylqevpiltldvnedfkdkyeslvekvkeflstl

    Sequence, based on observed residues (ATOM records): (download) 
    >4q1fB (B:)
rikkisiegniaagkstfvnilkqlsedwevvpepvarwsnltmeqknggnvlqmmyekp
erwsftfqtyaclsriraqlaslngklkdaekpvlffersvysdryifasnlyesesmne
tewtiyqdwhdwmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleyleklh
ykheswllhrtlktnfdylqevpiltldvnedfkdkyeslvekvkeflstl