Structure of PDB 4jlm Chain B

Receptor sequence
>4jlmB (length=233) Species: 9606 (Homo sapiens) [Search protein sequence]
TRIKKISIEGNIAAGKSTFVNILKQLSEDWEVVPEPVARWSNELTMEQKN
GGNVLQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFE
RSVYSDRYIFASNLYESESMNETEWTIYQDWHDWMNNQFGQSLELDGIIY
LQATPETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDY
LQEVPILTLDVNEDFKDKYESLVEKVKEFLSTL
3D structure
PDB4jlm Structural characterization of new deoxycytidine kinase inhibitors rationalizes the affinity-determining moieties of the molecules.
ChainB
Resolution2.18 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) E35 R101
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 1NN B E53 V55 L82 Y86 F96 Q97 D133 F137 Y204 E35 V37 L55 Y59 F69 Q70 D106 F110 Y177 MOAD: Ki=6.1nM
BindingDB: IC50=7.0nM
BS02 UDP B A31 A32 G33 K34 S35 T36 R188 R192 D241 F242 K243 A13 A14 G15 K16 S17 T18 R161 R165 D214 F215 K216
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:4jlm, PDBe:4jlm, PDBj:4jlm
PDBsum4jlm
PubMed24419380
UniProtP27707|DCK_HUMAN Deoxycytidine kinase (Gene Name=DCK)

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