Structure of PDB 4q1b Chain B

Receptor sequence
>4q1bB (length=228) Species: 9606 (Homo sapiens) [Search protein sequence]
RIKKISIEGNIAAGKSTFVNILKQLSEDWEVVPEPVARWSTMEQKNGGNV
LQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVY
SDRYIFASNLYESESMNETEWTIYQDWHDWMNNQFQSLELDGIIYLQATP
ETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEVP
ILTLDVNEDFKDKYESLVEKVKEFLSTL
3D structure
PDB4q1b Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
ChainB
Resolution2.15 Å
3D
structure
Catalytic site residues are labeled in the structure
[Spin on]
[Spin off]
[Reset orientation]

[High quality]
[Low quality]

[White background]
[Black background]

[Download]
[Download structure with residue number starting from 1]
Enzymatic activity
Catalytic site (original residue number in PDB) E53 R128
Catalytic site (residue number reindexed from 1) E34 R97
Enzyme Commision number 2.7.1.113: deoxyguanosine kinase.
2.7.1.74: deoxycytidine kinase.
2.7.1.76: deoxyadenosine kinase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 2Y0 B E53 V55 M85 Y86 F96 Q97 D133 F137 E34 V36 M54 Y55 F65 Q66 D102 F106 MOAD: Ki=1.9nM
BindingDB: IC50=12nM,Ki=1.9nM
BS02 UDP B A31 G33 K34 S35 T36 R188 R192 D241 A12 G14 K15 S16 T17 R156 R160 D209
Gene Ontology
Molecular Function
GO:0004136 deoxyadenosine kinase activity
GO:0004137 deoxycytidine kinase activity
GO:0004138 deoxyguanosine kinase activity
GO:0005515 protein binding
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0019136 deoxynucleoside kinase activity
GO:0042803 protein homodimerization activity
GO:0043771 cytidine kinase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006220 pyrimidine nucleotide metabolic process
GO:0009224 CMP biosynthetic process
GO:0016310 phosphorylation
GO:0106383 dAMP salvage
GO:1901135 carbohydrate derivative metabolic process
GO:1901293 nucleoside phosphate biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4q1b, PDBe:4q1b, PDBj:4q1b
PDBsum4q1b
PubMed25341194
UniProtP27707|DCK_HUMAN Deoxycytidine kinase (Gene Name=DCK)

[Back to BioLiP]