Structure of PDB 6jem Chain B Binding Site BS02

Receptor Information
>6jem Chain B (length=433) Species: 3527 (Phytolacca americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APLIVIVPSPGMGHLIPLVEFAKVLVSRFHFSVSLLLPTTAQPTKAQTTL
LNSLPSSVSHNFLPTVDPAHLPDGVAHEVTISLTHAHSLSSIRAALGSLA
QQAQVVALITDLFGTGLYTVARDLGIPPYLYFTSTAMCLLFLFHLPKLDE
TVSCEYRDMPEPLVLPGCVPLHGKDFVDPAQDRQDQAYHVLLDHVKRYVL
AEGIFVNTFVDLEPGAIKTLQTEDPNVPPVYPVGPIIQSSDCLKWLDRQP
SGSVLFVSFGSGGTLSNEQLNELAIGLEISGHRFLWVVFGFLPTGFVDRI
KDRGLLVPSWAPQIKVLSHGSTGGFLTHCGWNSTLESIVNGVPLIVWPLY
AEQRMNAVMLNQGLKVALRPNASQRGLVEADEIARVVKELMDGDEGKKAR
YKMRELSDSAKRVTSENGESTKLLSEVASKWSQ
Ligand information
Ligand IDSTL
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKeyLUKBXSAWLPMMSZ-OWOJBTEDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(ccc1C=Cc2cc(cc(c2)O)O)O
CACTVS 3.341Oc1ccc(cc1)C=Cc2cc(O)cc(O)c2
ACDLabs 10.04Oc2cc(\C=C\c1ccc(O)cc1)cc(O)c2
CACTVS 3.341Oc1ccc(cc1)/C=C/c2cc(O)cc(O)c2
OpenEye OEToolkits 1.5.0c1cc(ccc1\C=C\c2cc(cc(c2)O)O)O
FormulaC14 H12 O3
NameRESVERATROL
ChEMBLCHEMBL165
DrugBankDB02709
ZINCZINC000000006787
PDB chain6jem Chain B 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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PDB6jem An Ambidextrous Polyphenol GlycosyltransferasePaGT2 fromPhytolacca americana.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H81 E82 L116
Binding residue
(residue number reindexed from 1)		H77 E78 L112
Annotation score4
Enzymatic activity
Enzyme Commision number 2.4.1.-
Gene Ontology
Molecular Function
GO:0008194 UDP-glycosyltransferase activity
GO:0016757 glycosyltransferase activity

View graph for
Molecular Function
External links
PDB RCSB:6jem, PDBe:6jem, PDBj:6jem
PDBsum6jem
PubMed32525309
UniProtB5MGN7

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