Structure of PDB 8xe4 Chain D Binding Site BS01

Receptor Information
>8xe4 Chain D (length=236) Species: 1540222 (Narcissus aff. pseudonarcissus MK-2014) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SIDDYSLVHKNILHSEDLLKYILETSAYPREHEQLKGLREVTEKHEWSSA
LVPADEGLFLSMLLKLMNAKRTIEIGVYTGYSLLTTALALPEDGKITAID
VNKSYYEIGLPFIQKAGVEHKINFIESEALPVLDQMLEEMKEEDLYDYAF
VDADKSNYANYHERLVKLVRIGGAILYDNTLWYGSVAYPEYPGLHPEEEV
ARLSFRNLNTFLAADPRVEISQVSIGDGVTICRRLY
Ligand information
Ligand IDA1LU2
InChIInChI=1S/C15H17NO3/c17-13-4-1-11(2-5-13)7-8-16-10-12-3-6-14(18)15(19)9-12/h1-6,9,16-19H,7-8,10H2
InChIKeyYJYUDTAJVLORNV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Oc1ccc(CCNCc2ccc(O)c(O)c2)cc1
OpenEye OEToolkits 2.0.7c1cc(ccc1CCNCc2ccc(c(c2)O)O)O
FormulaC15 H17 N O3
NameNorbelladine
ChEMBL
DrugBank
ZINC
PDB chain8xe4 Chain D 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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PDB8xe4 Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Resolution1.96 Å
Binding residue
(original residue number in PDB)		L10 K13 S52 A53 D155 K158 N182 W185 Y186
Binding residue
(residue number reindexed from 1)		L7 K10 S49 A50 D152 K155 N179 W182 Y183
Annotation score5
External links
PDB RCSB:8xe4, PDBe:8xe4, PDBj:8xe4
PDBsum8xe4
PubMed
UniProtA0A077EWA5|NOMT_NARAP Norbelladine 4'-O-methyltransferase (Gene Name=N4OMT)

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