Structure of PDB 6n54 Chain A Binding Site BS01

Receptor Information
>6n54 Chain A (length=210) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GEPFLIGVSGGTASGKSSVCAKIVQLLGQNRQKQVVILSQDSFYRVLTSE
QKAKALKGQFNFDHPDAFDNELILKTLKEITEGKTVQIPVYDFVSHSRKE
ETVTVYPADVVLFEGILAFYSQEVRDLFQMKLFVDTDADTRLSRRVLRDI
SERGRDLEQILSQYITFVKPAFEEFCLPTKKYADVIIPRGADNLVAINLI
VQHIQDILNG
Ligand information
Ligand IDKEA
InChIInChI=1S/C9H13N6O7P/c10-5-1-2-15(9(17)12-5)8-6(13-14-11)7(16)4(22-8)3-21-23(18,19)20/h1-2,4,6-8,16H,3H2,(H2,10,12,17)(H2,18,19,20)/t4-,6-,7-,8-/m1/s1
InChIKeyGXKFYGVDGIPSIP-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)O)O)N=[N+]=[N-]
CACTVS 3.385NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2N=[N+]=[N-]
ACDLabs 12.01C2(O)C(C(N1C=CC(N)=NC1=O)OC2COP(=O)(O)O)N=[N+]=[N-]
CACTVS 3.385NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]2N=[N+]=[N-]
OpenEye OEToolkits 2.0.7C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)(O)O)O)N=[N+]=[N-]
FormulaC9 H13 N6 O7 P
Name2'-azido-2'-deoxycytidine 5'-(dihydrogen phosphate);
2'-azidocytidine monophosphate
ChEMBL
DrugBank
ZINC
PDB chain6n54 Chain A Residue 304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6n54 An optimized chemical-genetic method for cell-specific metabolic labeling of RNA.
Resolution2.424 Å
Binding residue
(original residue number in PDB)		T29 K33 D62 Y65 F83 D84 F114 H117 R166
Binding residue
(residue number reindexed from 1)		T12 K16 D41 Y44 F62 D63 F93 H96 R145
Annotation score3
Binding affinityPDBbind-CN: -logKd/Ki=7.75,Kd=17.8nM
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:6n54, PDBe:6n54, PDBj:6n54
PDBsum6n54
PubMed32015544
UniProtQ9BZX2|UCK2_HUMAN Uridine-cytidine kinase 2 (Gene Name=UCK2)

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