PDB entry 4jlm

View 4jlm on RCSB PDB site
Description: Human dCK C4S-S74E mutant in complex with UDP and the F2.3.1 inhibitor (2-[({5-ETHYL-2-[3-(2-FLUOROETHOXY)-4-METHOXYPHENYL]-1,3-THIAZOL-4-YL}METHYL)SULFANYL]PYRIMIDINE-4,6-DIAMINE)
Class: transferase/transferase inhibitor
Keywords: phosphoryl transfer, phosphorylation, kinase, transferase-transferase inhibitor complex
Deposited on 2013-03-12, released 2014-01-22
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-02-19, with a file datestamp of 2014-02-14.
Experiment type: XRAY
Resolution: 2.18 Å
R-factor: 0.171
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 2.05: d4jlma_
  • 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 2.05: d4jlmb_
  • Heterogens: 1NN, UDP, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4jlmA (A:)
trikkisiegniaagkstfvnilkqlsedwevvpepvarwsneltmeqknggnvlqmmye
kperwsftfqtyaclsriraqlaslngklkdaekpvlffersvysdryifasnlyesesm
netewtiyqdwhdwmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleylek
lhykheswllhrtlktnfdylqevpiltldvnedfkdkyeslvekvkeflstl

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

    Sequence, based on observed residues (ATOM records): (download) 
    >4jlmB (B:)
trikkisiegniaagkstfvnilkqlsedwevvpepvarwsneltmeqknggnvlqmmye
kperwsftfqtyaclsriraqlaslngklkdaekpvlffersvysdryifasnlyesesm
netewtiyqdwhdwmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleylek
lhykheswllhrtlktnfdylqevpiltldvnedfkdkyeslvekvkeflstl