PDB entry 4q1c
View 4q1c on RCSB PDB site
Description: Human dCK C4S-S74E mutant in complex with UDP and the inhibitor 8 {2,2'-[{4-[(2R)-4-{[(4,6-diaminopyrimidin-2-yl)sulfanyl]methyl}-5-propyl-2,3-dihydro-1,3-thiazol-2-yl]benzene-1,2-diyl}bis(oxy)]diethanol}
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 2.06 freeze date was dated
2014-12-17, with a file datestamp of
2014-12-12.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.207
AEROSPACI score: 0.34
(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 2.06: d4q1ca_ - 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 2.06: d4q1cb_ - Heterogens: 2XM, UDP, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>4q1cA (A:)
mgsshhhhhhssglvprgshmatppkrsspsfsassegtrikkisiegniaagkstfvni
lkqlsedwevvpepvarwsnvqstqdefeeltmeqknggnvlqmmyekperwsftfqtya
clsriraqlaslngklkdaekpvlffersvysdryifasnlyesesmnetewtiyqdwhd
wmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleyleklhykheswllhrt
lktnfdylqevpiltldvnedfkdkyeslvekvkeflstl
Sequence, based on observed residues (ATOM records): (download)
>4q1cA (A:)
rikkisiegniaagkstfvnilkqlsedwevvpepvarwsltmeqknggnvlqmmyekpe
rwsftfqtyaclsriraqlaslngklkdaekpvlffersvysdryifasnlyesesmnet
ewtiyqdwhdwmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleyleklhy
kheswllhrtlktnfdylqevpiltldvnedfkdkyeslvekvkeflstl
- Chain 'B':
Sequence, based on SEQRES records: (download)
>4q1cB (B:)
mgsshhhhhhssglvprgshmatppkrsspsfsassegtrikkisiegniaagkstfvni
lkqlsedwevvpepvarwsnvqstqdefeeltmeqknggnvlqmmyekperwsftfqtya
clsriraqlaslngklkdaekpvlffersvysdryifasnlyesesmnetewtiyqdwhd
wmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleyleklhykheswllhrt
lktnfdylqevpiltldvnedfkdkyeslvekvkeflstl
Sequence, based on observed residues (ATOM records): (download)
>4q1cB (B:)
rikkisiegniaagkstfvnilkqlsedwevvpepvarwstmeqknggnvlqmmyekper
wsftfqtyaclsriraqlaslngklkdaekpvlffersvysdryifasnlyesesmnete
wtiyqdwhdwmnnqfgqsleldgiiylqatpetclhriylrgrneeqgipleyleklhyk
heswllhrtlktnfdylqevpiltldvnedfkdkyeslvekvkeflstl