Structure of PDB 8xe5 Chain C Binding Site BS03

Receptor Information
>8xe5 Chain C (length=242) Species: 1540222 (Narcissus aff. pseudonarcissus MK-2014) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPGMGASIDDYSLVHKNILHSEDLLKYILETSAYPREHEQLKGLREVTEK
HEWSSALVPADEGLFLSMLLKLMNAKRTIEIGVYTGYSLLTTALALPEDG
KITAIDVNKSYYEIGLPFIQKAGVEHKINFIESEALPVLDQMLEEMKEED
LYDYAFVDADKSNYANYHERLVKLVRIGGAILYDNTLWYGSVAYPEYPGL
HPEEEVARLSFRNLNTFLAADPRVEISQVSIGDGVTICRRLY
Ligand information
Ligand IDH6N
InChIInChI=1S/C7H6O3/c8-4-5-1-2-6(9)7(10)3-5/h1-4,9-10H
InChIKeyIBGBGRVKPALMCQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(c(cc1C=O)O)O
CACTVS 3.385Oc1ccc(C=O)cc1O
FormulaC7 H6 O3
NameProtocatechuic aldehyde
ChEMBLCHEMBL222021
DrugBankDB11268
ZINCZINC000000013245
PDB chain8xe5 Chain C Residue 303 [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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PDB8xe5 Structure-Based Catalytic Mechanism of Amaryllidaceae O-Methyltransferases
Resolution2.07 Å
Binding residue
(original residue number in PDB)		S52 A53 D155 K158 N182 Y186
Binding residue
(residue number reindexed from 1)		S55 A56 D158 K161 N185 Y189
Annotation score1
External links
PDB RCSB:8xe5, PDBe:8xe5, PDBj:8xe5
PDBsum8xe5
PubMed
UniProtA0A077EWA5|NOMT_NARAP Norbelladine 4'-O-methyltransferase (Gene Name=N4OMT)

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