Structure of PDB 6n53 Chain A Binding Site BS01

Receptor Information
>6n53 Chain A (length=207) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPFLIGVSGGTASGKSSVCAKIVQLLGQNQKQVVILSQDSFYRVLTSEQK
AKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKEET
VTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDISE
RGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLIVQ
HIQDILN
Ligand information
Ligand IDUZR
InChIInChI=1S/C9H12N5O8P/c10-13-12-6-7(16)4(3-21-23(18,19)20)22-8(6)14-2-1-5(15)11-9(14)17/h1-2,4,6-8,10,16H,3H2,(H2-,11,15,17,18,19,20)/p+1/t4-,6-,7-,8-/m1/s1
InChIKeyFKBDCNLBVFTTRL-XVFCMESISA-O
SMILES
SoftwareSMILES
ACDLabs 12.01O=P(O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(\N=[N+]=[N@H])C2O
CACTVS 3.370O[C@@H]1[C@@H](CO[P](O)(O)=O)O[C@H]([C@@H]1N=[N+]=N)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.2C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)O)O)N=[N+]=N
OpenEye OEToolkits 1.7.2C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=N
CACTVS 3.370O[CH]1[CH](CO[P](O)(O)=O)O[CH]([CH]1N=[N+]=N)N2C=CC(=O)NC2=O
FormulaC9 H13 N5 O8 P
Name2'-deoxy-2'-triaza-1,2-dien-2-ium-1-yl-uridine-5'-monophosphate
ChEMBL
DrugBank
ZINCZINC000098209516
PDB chain6n53 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6n53 An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		T29 K33 D62 Y65 D84 I137 R166
Binding residue
(residue number reindexed from 1)		T11 K15 D39 Y42 D61 I114 R143
Annotation score2
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6n53, PDBe:6n53, PDBj:6n53
PDBsum6n53
PubMed32015544
UniProtQ9BZX2|UCK2_HUMAN Uridine-cytidine kinase 2 (Gene Name=UCK2)

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