Structure of PDB 8zfw Chain B Binding Site BS01

Receptor Information
>8zfw Chain B (length=234) Species: 1540222 (Narcissus aff. pseudonarcissus MK-2014) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DDYSLVHKNILHSEDLLKYILETSAYPREHEQLKGLREVTEKHEWSTALV
PADEGLFLSMLLKLMNAKRTIEIGVYTGYSLLTTALALPEDGKITAIDVN
KSYYEIGLPFIQKAGVEHKINFIESEALPVLDQMLEEMKEEDLYDYAFVD
ADKSNYANYHERLVKLVRIGGAILYDNTLWFGSVAYPEYPGLHPEEEVAR
LSFRNLNTFLAADPRVEISQVSIGDGVTICRRLY
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 chain8zfw Chain B Residue 602 [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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PDB8zfw Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Resolution2.18 Å
Binding residue
(original residue number in PDB)		Y8 W50 T52 A53 K158 N182 W185 E201
Binding residue
(residue number reindexed from 1)		Y3 W45 T47 A48 K153 N177 W180 E196
Annotation score5
External links
PDB RCSB:8zfw, PDBe:8zfw, PDBj:8zfw
PDBsum8zfw
PubMed
UniProtA0A077EWA5|NOMT_NARAP Norbelladine 4'-O-methyltransferase (Gene Name=N4OMT)

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