Structure of PDB 7vek Chain B Binding Site BS02

Receptor Information
>7vek Chain B (length=451) Species: 3527 (Phytolacca americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QQLHVVFFPIMAHGHMIPTLDIARLFAARNVRATIITTPLNAHTFTKAIS
PTIHLELFKFPAQDVGLPEGCENLEQALGSSLIEKFFKGVGLLREQLEAY
LEKTRPNCLVADMFFPWATDSAAKFNIPRLVFHGTSFFSLCALEVVRLYE
PHKNVSSDEELFSLPLFPHDIKMMRLQLPEDVWKHEKAEGKTRLKLIKES
ELKSYGVIVNSFYELEPNYAEFFRKELGRRAWNIGPVSLCNRSTEHECLK
WLNSKKKNSVIYICFGSTAHQIAPQLYEIAMALEASGQEFIWVVRNDSWL
PRGFEQRVEGKGLIIRGWAPQVLILEHEAIGAFVTHCGWNSTLEGITAGV
PMVTWPIFAEQFYNEKLVNQILKIGVPVGANKWSRETSIEDVIKKDAIEK
ALREIMVGDEAEERRSRAKKLKEMAWKAVEEGGSSYSDLSALIEELRGYH
A
Ligand information
Ligand ID4DY
InChIInChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+
InChIKeyYKPUWZUDDOIDPM-SOFGYWHQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CC(C)/C=C/CCCCC(=O)NCc1ccc(c(c1)OC)O
CACTVS 3.385COc1cc(CNC(=O)CCCCC=CC(C)C)ccc1O
ACDLabs 12.01c1(CNC(CCCC[C@H]=CC(C)C)=O)cc(OC)c(cc1)O
CACTVS 3.385COc1cc(CNC(=O)CCCC/C=C/C(C)C)ccc1O
OpenEye OEToolkits 1.7.6CC(C)C=CCCCCC(=O)NCc1ccc(c(c1)OC)O
FormulaC18 H27 N O3
Name(6E)-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide;
Capsaicin;
8-Methyl-N-vanillyl-trans-6-nonenamide;
NGX-4010
ChEMBLCHEMBL294199
DrugBankDB06774
ZINCZINC000001530575
PDB chain7vek Chain B Residue 501 [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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PDB7vek Structural basis for substrate recognition in the Phytolacca americana glycosyltransferase PaGT3.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		L155 V158 R159 L190 P191 V194 L206 A393 E394 Y397
Binding residue
(residue number reindexed from 1)		L143 V146 R147 L178 P179 V182 L194 A359 E360 Y363
Annotation score3
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity
GO:0035251 UDP-glucosyltransferase activity
GO:0046527 glucosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:7vek, PDBe:7vek, PDBj:7vek
PDBsum7vek
PubMed35234151
UniProtB5MGN9

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