Structure of PDB 6kvk Chain A Binding Site BS02

Receptor Information
>6kvk Chain A (length=448) Species: 55670 (Stevia rebaudiana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RRRIILFPVPFQGHINPILQLANVLYSKGFSITIFHTNFNKPKTSNYPHF
TFRFILDNDPQDERISNLPTHGPLAGMRIPIINEHGADELRRELELLMLA
SEEDEEVSCLITDALWYFAQSVADSLNLRRLVLMTSSLFNFHAHVSLPQF
DELGYLDPDDKTRLEEQASGFPMLKVKDIKSAYSNWQILKEILGKMIKQT
KASSGVIWNSFKELEESELETVIREIPAPSFLIPLPKHLTASSSSLLDHD
RTVFQWLDQQPPSSVLYVSFGSTSEVDEKDFLEIARGLVDSKQSFLWVVR
PGFVKGSTWVEPLPDGFLGERGRIVKWVPQQEVLAHGAIGAFWTHSGWNS
TLESVCEGVPMIFSDFGLDQPLNARYMSDVLKVGVYLENGWERGEIANAI
RRVMVDEEGEYIRQNARVLKQKADVSLMKGGSSYESLESLVSYISSLT
Ligand information
Ligand IDDX0
InChIInChI=1S/C26H40O8/c1-14-11-25-9-5-16-23(2,7-4-8-24(16,3)22(31)32)17(25)6-10-26(14,13-25)34-21-20(30)19(29)18(28)15(12-27)33-21/h15-21,27-30H,1,4-13H2,2-3H3,(H,31,32)/t15-,16-,17-,18-,19+,20-,21+,23+,24+,25+,26-/m0/s1
InChIKeyQSIDJGUAAUSPMG-BNVBOWSRSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC12CCCC(C1CCC34C2CCC(C3)(C(=C)C4)OC5C(C(C(C(O5)CO)O)O)O)(C)C(=O)O
CACTVS 3.385C[C]12CCC[C](C)([CH]1CC[C]34CC(=C)[C](CC[CH]23)(C4)O[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O)C(O)=O
CACTVS 3.385C[C@@]12CCC[C@](C)([C@H]1CC[C@]34CC(=C)[C@](CC[C@@H]23)(C4)O[C@H]5O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]5O)C(O)=O
OpenEye OEToolkits 2.0.7C[C@@]12CCC[C@@]([C@H]1CC[C@]34[C@H]2CC[C@](C3)(C(=C)C4)O[C@@H]5[C@H]([C@@H]([C@H]([C@@H](O5)CO)O)O)O)(C)C(=O)O
FormulaC26 H40 O8
NameSteviolmonoside
ChEMBL
DrugBank
ZINC
PDB chain6kvk Chain A Residue 502 [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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PDB6kvk Structural Insights into the Catalytic Mechanism of a Plant Diterpene Glycosyltransferase SrUGT76G1.
Resolution2.397 Å
Binding residue
(original residue number in PDB)		F23 H26 P85 G88
Binding residue
(residue number reindexed from 1)		F11 H14 P73 G76
Annotation score4
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:6kvk, PDBe:6kvk, PDBj:6kvk
PDBsum6kvk
PubMed33404544
UniProtQ6VAB4|U76G1_STERE UDP-glycosyltransferase 76G1 (Gene Name=UGT76G1)

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