Structure of PDB 3rsc Chain A Binding Site BS01

Receptor Information
>3rsc Chain A (length=397) Species: 1877 (Micromonospora echinospora) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HMAHLLIVNVASHGLILPTLTVVTELVRRGHRVSYVTAGGFAEPVRAAGA
TVVPYQSEIIDADAAEVFGSDDLGVRPHLMYLRENVSVLRATAEALDGDV
PDLVLYDDFPFIAGQLLAARWRRPAVRLSAAFASNEHYSFSQDMVTLAGT
IDPLDLPVFRDTLRDLLAEHGLSRSVVDCWNHVEQLNLVFVPKAFQIAGD
TFDDRFVFVGPCFDDRRFLGEWTRPADDLPVVLVSLGTTFNDRPGFFRDC
ARAFDGQPWHVVMTLGGQVDPAALGDLPPNVEAHRWVPHVKVLEQATVCV
THGGMGTLMEALYWGRPLVVVPQSFDVQPMARRVDQLGLGAVLPGEKADG
DTLLAAVGAVAADPALLARVEAMRGHVRRAGGAARAADAVEAYLARA
Ligand information
Ligand IDTYD
InChIInChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyUJLXYODCHAELLY-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)OP(=O)(O)O)O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)O)O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H16 N2 O11 P2
NameTHYMIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL259724
DrugBankDB03103
ZINCZINC000008215882
PDB chain3rsc Chain A Residue 397 [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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PDB3rsc Complete set of glycosyltransferase structures in the calicheamicin biosynthetic pathway reveals the origin of regiospecificity.
Resolution2.19 Å
Binding residue
(original residue number in PDB)		L16 G236 T237 T238 T263 W285 V286 H288 H301 G303 T306 E309
Binding residue
(residue number reindexed from 1)		L17 G237 T238 T239 T264 W286 V287 H289 H302 G304 T307 E310
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016740 transferase activity
GO:0016757 glycosyltransferase activity
GO:0016758 hexosyltransferase activity
Biological Process
GO:0009058 biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3rsc, PDBe:3rsc, PDBj:3rsc
PDBsum3rsc
PubMed21987796
UniProtQ8KNE0

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