Structure of PDB 6o88 Chain A Binding Site BS01

Receptor Information
>6o88 Chain A (length=443) Species: 55670 (Stevia rebaudiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRRIILFPVPFQGHINPILQLANVLYSKGFSITIFHTNFNKPKTSNYPHF
TFRFILDNDPQDERISNLPTHGPLAGMRIPIINEHGADELRRELELLMLA
SEEDEEVSCLITDALWYFAQSVADSLNLRRLVLMTSSLFNFHAHVSLPQF
DELGYLDPRLEEQASGFPMLKVKDIKSAYSNWQILKEILGKMIKQTKASS
GVIWNSFKELEESELETVIREIPAPSFLIPLPKHLTASSSSLLDHDRTVF
QWLDQQPPSSVLYVSFGSTSEVDEKDFLEIARGLVDSKQSFLWVVRPGFV
KGSTWVEPLPDGFLGERGRIVKWVPQQEVLAHGAIGAFWTHSGWNSTLES
VCEGVPMIFSDFGLDQPLNARYMSDVLKVGVYLENGWERGEIANAIRRVM
VDEEGEYIRQNARVLKQKADVSLMKGGSSYESLESLVSYISSL
Ligand information
Ligand IDUDP
InChIInChI=1S/C9H14N2O12P2/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(22-8)3-21-25(19,20)23-24(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyXCCTYIAWTASOJW-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.370O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
CACTVS 3.370O[C@H]1[C@@H](O)[C@@H](O[C@@H]1CO[P](O)(=O)O[P](O)(O)=O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.7.0C1=CN(C(=O)NC1=O)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)O)O)O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O
FormulaC9 H14 N2 O12 P2
NameURIDINE-5'-DIPHOSPHATE
ChEMBLCHEMBL130266
DrugBankDB03435
ZINCZINC000004490939
PDB chain6o88 Chain A Residue 500 [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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PDB6o88 Molecular basis for branched steviol glucoside biosynthesis.
Resolution1.99 Å
Binding residue
(original residue number in PDB)		N27 S283 W338 V339 Q341 H356 G358 N360 S361 E364
Binding residue
(residue number reindexed from 1)		N16 S268 W323 V324 Q326 H341 G343 N345 S346 E349
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016740 transferase activity
GO:0035251 UDP-glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6o88, PDBe:6o88, PDBj:6o88
PDBsum6o88
PubMed31182573
UniProtQ6VAB4|U76G1_STERE UDP-glycosyltransferase 76G1 (Gene Name=UGT76G1)

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