Structure of PDB 4q18 Chain B

Receptor sequence
>4q18B (length=231) Species: 9606 (Homo sapiens) [Search protein sequence]
TRIKKISIEGNIAAGKSTFVNILKQLSEDWEVVPEPVARWSLTMEQKNGG
NVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERS
VYSDRYIFASNLYESESMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQ
ATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQ
EVPILTLDVNEDFKDKYESLVEKVKEFLSTL
3D structure
PDB4q18 Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
ChainB
Resolution2.0 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) E35 R99
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 UDP B A31 G33 K34 S35 T36 R188 R192 D241 F242 K243 A13 G15 K16 S17 T18 R159 R163 D212 F213 K214
BS02 2XJ B E53 V55 L82 M85 P89 F96 Q97 D133 F137 S144 Y204 E35 V37 L53 M56 P60 F67 Q68 D104 F108 S115 Y175 MOAD: Ki=735nM
BindingDB: IC50=754nM,Ki=735nM
BS03 2XJ B S59 Y86 R194 E196 E197 G199 I200 P201 Y204 S41 Y57 R165 E167 E168 G170 I171 P172 Y175 MOAD: Ki=735nM
BindingDB: IC50=754nM,Ki=735nM
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:4q18, PDBe:4q18, PDBj:4q18
PDBsum4q18
PubMed25341194
UniProtP27707|DCK_HUMAN Deoxycytidine kinase (Gene Name=DCK)

[Back to BioLiP]