Structure of PDB 6jen Chain A Binding Site BS01

Receptor Information
>6jen Chain A (length=440) Species: 3527 (Phytolacca americana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APLIVIVPSPGMGHLIPLVEFAKVLVSRFHFSVSLLLPTTAQPTKAQTTL
LNSLPSSVSHNFLPTVDPAHLPVAHEVTISLTHAHSLSSIRAALGSLAQQ
AQVVALITDLFGTGLYTVARDLGIPPYLYFTSTAMCLLFLFHLPKLDETV
SCEYRDMPEPLVLPGCVPLHGKDFVDPAQDRQDQAYHVLLDHVKRYVLAE
GIFVNTFVDLEPGAIKTLQTEDPNVPPVYPVGPIIQSGLDDDSDCLKWLD
RQPSGSVLFVSFGSGGTLSNEQLNELAIGLEISGHRFLWVVRSPPFGFLP
TGFVDRIKDRGLLVPSWAPQIKVLSHGSTGGFLTHCGWNSTLESIVNGVP
LIVWPLYAEQRMNAVMLNQGLKVALRPNASQRGLVEADEIARVVKELMDG
DEGKKARYKMRELSDSAKRVTSENGESTKLLSEVASKWSQ
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 A 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)		H81 E82 L116 S138 P183
Binding residue
(residue number reindexed from 1)		H75 E76 L110 S132 P177
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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