Structure of PDB 2jat Chain A Binding Site BS02

Receptor Information
>2jat Chain A (length=190) Species: 44101 (Mycoplasma mycoides subsp. mycoides SC) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIAIFGTVGAGKSTISAEISKKLGYEIFKEPVEENPYFEQYYKDLKKTV
FKMQIYMLTARSKQLKQLENIIFDRTLLEDPIFMKVNYDLNNVDQTDYNT
YIDFYNNVVLLSFDIVIYLRVSTKTAISRIKKRGRSEELLIGEEYWETLN
KNYEEFYKQNVYDFPFFVVDAELDVKTQIELIMNKLNSIK
Ligand information
Ligand IDDCM
InChIInChI=1S/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyNCMVOABPESMRCP-SHYZEUOFSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P](O)(O)=O)O2
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
ACDLabs 10.04O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)COP(=O)(O)O)O
FormulaC9 H14 N3 O7 P
Name2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL374699
DrugBankDB03798
ZINCZINC000003861759
PDB chain2jat Chain A Residue 1205 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2jat Structure-Function Analysis of a Bacterial Deoxyadenosine Kinase Reveals the Basis for Substrate Specificity.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		V9 K13 Y42 Y43 Q54 R78 D83 F86 E150
Binding residue
(residue number reindexed from 1)		V9 K13 Y42 Y43 Q54 R75 D80 F83 E138
Annotation score2
Enzymatic activity
Enzyme Commision number 2.7.1.113: deoxyguanosine kinase.
Gene Ontology
Molecular Function
GO:0004138 deoxyguanosine kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0019136 deoxynucleoside kinase activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0009157 deoxyribonucleoside monophosphate biosynthetic process
GO:0016310 phosphorylation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2jat, PDBe:2jat, PDBj:2jat
PDBsum2jat
PubMed17229440
UniProtQ93IG4

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