Structure of PDB 6n55 Chain F Binding Site BS01

Receptor Information
>6n55 Chain F (length=212) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEPFLIGVSGGTASGKSSVCAKIVQLLGQNDYRQKQVVILSQDSFYRVLT
SEQKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSR
KEETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLR
DISERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAIN
LIVQHIQDILNG
Ligand information
Ligand IDUZ0
InChIInChI=1S/C9H11N5O5/c10-13-12-6-7(17)4(3-15)19-8(6)14-2-1-5(16)11-9(14)18/h1-2,4,6-8,15,17H,3H2,(H,11,16,18)/t4-,6-,7-,8-/m1/s1
InChIKeyMRUKYOQQKHNMFI-XVFCMESISA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC[C@H]1O[C@H]([C@H](N=[N+]=[N-])[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 2.0.7C1=CN(C(=O)NC1=O)C2C(C(C(O2)CO)O)N=[N+]=[N-]
OpenEye OEToolkits 2.0.7C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO)O)N=[N+]=[N-]
CACTVS 3.385OC[CH]1O[CH]([CH](N=[N+]=[N-])[CH]1O)N2C=CC(=O)NC2=O
ACDLabs 12.01N1(C=CC(NC1=O)=O)C2OC(C(C2N=[N+]=[N-])O)CO
FormulaC9 H11 N5 O5
Name2'-azido-2'-deoxyuridine
ChEMBL
DrugBank
ZINCZINC000006091560
PDB chain6n55 Chain F Residue 307 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6n55 An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Resolution3.085 Å
Binding residue
(original residue number in PDB)		Y65 F114 R174
Binding residue
(residue number reindexed from 1)		Y46 F95 R155
Annotation score3
Binding affinityPDBbind-CN: -logKd/Ki=7.87,Kd=13.4nM
Enzymatic activity
Enzyme Commision number 2.7.1.48: uridine/cytidine kinase.
Gene Ontology
Molecular Function
GO:0004849 uridine kinase activity
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0042802 identical protein binding
GO:0043771 cytidine kinase activity
Biological Process
GO:0009224 CMP biosynthetic process
GO:0016310 phosphorylation
GO:0044206 UMP salvage
GO:0044211 CTP salvage
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6n55, PDBe:6n55, PDBj:6n55
PDBsum6n55
PubMed32015544
UniProtQ9BZX2|UCK2_HUMAN Uridine-cytidine kinase 2 (Gene Name=UCK2)

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