Structure of PDB 1j90 Chain A Binding Site BS01

Receptor Information
>1j90 Chain A (length=195) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQPFTVLIEGNIGSGKTTYLNHFEKYKNDICLLTEPVEKWRNVNGVNLLE
LMYKDPKKWAMPFQSYVTLTMLQSHTAPTNKKLKIMERSIFSARYCFVEN
MRRNGSLEQGMYNTLEEWYKFIEESIHVQADLIIYLRTSPEVAYERIRQR
ARSEESCVPLKYLQELHELHEDWLIHQRRPQSCKVLVLDADLNLE
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 chain1j90 Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1j90 Structural basis for substrate specificities of cellular deoxyribonucleoside kinases.
Resolution2.56 Å
Binding residue
(original residue number in PDB)		I29 E52 W57 Y70 F80 Q81 A110 F114 E172
Binding residue
(residue number reindexed from 1)		I12 E35 W40 Y53 F63 Q64 A93 F97 E155
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E52 R105
Catalytic site (residue number reindexed from 1) E35 R88
Enzyme Commision number 2.7.1.145: deoxynucleoside kinase.
Gene Ontology
Molecular Function
GO:0004136 deoxyadenosine kinase activity
GO:0004137 deoxycytidine kinase activity
GO:0004138 deoxyguanosine kinase activity
GO:0004797 thymidine kinase activity
GO:0004849 uridine kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0019136 deoxynucleoside kinase activity
GO:0043771 cytidine kinase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006170 dAMP biosynthetic process
GO:0006222 UMP biosynthetic process
GO:0009157 deoxyribonucleoside monophosphate biosynthetic process
GO:0009224 CMP biosynthetic process
GO:0016310 phosphorylation
GO:0043174 nucleoside salvage
GO:0071897 DNA biosynthetic process
GO:1901293 nucleoside phosphate biosynthetic process
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1j90, PDBe:1j90, PDBj:1j90
PDBsum1j90
PubMed11427893
UniProtQ9XZT6|DNK_DROME Deoxynucleoside kinase (Gene Name=dnk)

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