Structure of PDB 4jln Chain A

Receptor sequence
>4jlnA (length=232) Species: 9606 (Homo sapiens) [Search protein sequence]
RIKKISIEGNIAAGKSTFVNILKQLSEDWEVVPEPVARWSNELTMEQKNG
GNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFER
SVYSDRYIFASNLYESESMNETEWTIYQDWHDWMNNQFGQSLELDGIIYL
QATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYL
QEVPILTLDVNEDFKDKYESLVEKVKEFLSTL
3D structure
PDB4jln Structural characterization of new deoxycytidine kinase inhibitors rationalizes the affinity-determining moieties of the molecules.
ChainA
Resolution2.15 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) E34 R100
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 18V A E53 V55 L82 Y86 P89 F96 Q97 D133 F137 Y204 E34 V36 L54 Y58 P61 F68 Q69 D105 F109 Y176 MOAD: Ki=1.5nM
PDBbind-CN: -logKd/Ki=7.78,IC50=16.7nM
BindingDB: Ki=1.5nM,IC50=3.0nM
BS02 UDP A A31 G33 K34 S35 T36 R188 R192 D241 F242 K243 A12 G14 K15 S16 T17 R160 R164 D213 F214 K215
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4jln, PDBe:4jln, PDBj:4jln
PDBsum4jln
PubMed24419380
UniProtP27707|DCK_HUMAN Deoxycytidine kinase (Gene Name=DCK)

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