Structure of PDB 4q18 Chain A

Receptor sequence
>4q18A (length=230) Species: 9606 (Homo sapiens) [Search protein sequence]
IKKISIEGNIAAGKSTFVNILKQLSEDWEVVPEPVARWSNLTMEQKNGGN
VLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSV
YSDRYIFASNLYESESMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQA
TPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQE
VPILTLDVNEDFKDKYESLVEKVKEFLSTL
3D structure
PDB4q18 Structure-guided development of deoxycytidine kinase inhibitors with nanomolar affinity and improved metabolic stability.
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) E53 R128
Catalytic site (residue number reindexed from 1) E33 R98
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 2XJ A E53 V55 M85 Y86 P89 F96 Q97 F137 S144 E33 V35 M55 Y56 P59 F66 Q67 F107 S114 MOAD: Ki=735nM
PDBbind-CN: -logKd/Ki=6.13,Ki=735nM
BindingDB: IC50=754nM,Ki=735nM
BS02 2XJ A I30 S59 Y86 E196 G199 I200 P201 Y204 I10 S39 Y56 E166 G169 I170 P171 Y174 MOAD: Ki=735nM
PDBbind-CN: -logKd/Ki=6.13,Ki=735nM
BindingDB: IC50=754nM,Ki=735nM
BS03 UDP A A31 G33 K34 S35 T36 R188 R192 D241 F242 K243 A11 G13 K14 S15 T16 R158 R162 D211 F212 K213
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

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Cellular Component
External links
PDB RCSB:4q18, PDBe:4q18, PDBj:4q18
PDBsum4q18
PubMed25341194
UniProtP27707|DCK_HUMAN Deoxycytidine kinase (Gene Name=DCK)

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