Structure of PDB 1p61 Chain B Binding Site BS02

Receptor Information
>1p61 Chain B (length=229) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIKKISIEGNIAAGKSTFVNILKQLCEDWEVVPEPVARWCNVQSTNGGNV
LQMMYEKPERWSFTFQTYACLSRIRAQLASLNGKLKDAEKPVLFFERSVY
SDRYIFASNLYESECMNETEWTIYQDWHDWMNNQFGQSLELDGIIYLQAT
PETCLHRIYLRGRNEEQGIPLEYLEKLHYKHESWLLHRTLKTNFDYLQEV
PILTLDVNEDFKDKYESLVEKVKEFLSTL
Ligand information
Ligand IDDCZ
InChIInChI=1S/C9H13N3O4/c10-7-1-2-12(9(15)11-7)8-3-5(14)6(4-13)16-8/h1-2,5-6,8,13-14H,3-4H2,(H2,10,11,15)/t5-,6+,8+/m0/s1
InChIKeyCKTSBUTUHBMZGZ-SHYZEUOFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO)O2
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO)O2
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)CO)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)CO
FormulaC9 H13 N3 O4
Name2'-DEOXYCYTIDINE
ChEMBLCHEMBL66115
DrugBankDB02594
ZINCZINC000018286013
PDB chain1p61 Chain B Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1p61 Structure of human dCK suggests strategies to improve anticancer and antiviral therapy
Resolution2.21 Å
Binding residue
(original residue number in PDB)		I30 E53 V55 W58 Y86 F96 Q97 D133 F137 E197
Binding residue
(residue number reindexed from 1)		I11 E34 V36 W39 Y55 F65 Q66 D102 F106 E166
Annotation score5
Enzymatic activity
Enzyme Commision number 2.7.1.113: deoxyguanosine kinase.
2.7.1.74: deoxycytidine kinase.
2.7.1.76: deoxyadenosine kinase.
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:1p61, PDBe:1p61, PDBj:1p61
PDBsum1p61
PubMed12808445
UniProtP27707|DCK_HUMAN Deoxycytidine kinase (Gene Name=DCK)

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