Structure of PDB 6jen Chain B Binding Site BS01

Receptor Information
>6jen 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 ID3RL
InChIInChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
InChIKeyVLEUZFDZJKSGMX-ONEGZZNKSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O(c1cc(cc(OC)c1)\C=C\c2ccc(O)cc2)C
OpenEye OEToolkits 1.9.2COc1cc(cc(c1)OC)C=Cc2ccc(cc2)O
CACTVS 3.385COc1cc(OC)cc(C=Cc2ccc(O)cc2)c1
CACTVS 3.385COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1
OpenEye OEToolkits 1.9.2COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O
FormulaC16 H16 O3
NamePterostilbene
ChEMBLCHEMBL83527
DrugBankDB17939
ZINCZINC000000899213
PDB chain6jen 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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PDB6jen An Ambidextrous Polyphenol GlycosyltransferasePaGT2 fromPhytolacca americana.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		H18 S138
Binding residue
(residue number reindexed from 1)		H14 S134
Annotation score1
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:6jen, PDBe:6jen, PDBj:6jen
PDBsum6jen
PubMed32525309
UniProtB5MGN7

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