Structure of PDB 8uke Chain E Binding Site BS02

Receptor Information
>8uke Chain E (length=227) Species: 1540222 (Narcissus aff. pseudonarcissus MK-2014) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KNILHSEDLLKYILETSAYPREHPQLKELREVTEKHEWSSMLVPADEGLF
LSMLLKLMNAKRTIEIGVYTGYSLLTTALALPEDGKITAIDVNKSYYEIG
LPFIQKAGVEHKINFIESEALPVLDQMLEEMKEEDLYDYAFVDADKSNYA
NYHERLVKLVRIGGAILYDNTLWYGSVAYPEYPGLHPEEEVARLSFRNLN
TFLAADPRVEISQVSIGDGVTICRRLY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8uke Chain E Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8uke Biosensor and machine learning-aided engineering of an amaryllidaceae enzyme.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		D155 D181 N182
Binding residue
(residue number reindexed from 1)		D143 D169 N170
Annotation score1
Enzymatic activity
Enzyme Commision number 2.1.1.336: norbelladine O-methyltransferase.
Gene Ontology
Molecular Function
GO:0008168 methyltransferase activity
GO:0008171 O-methyltransferase activity
GO:0008757 S-adenosylmethionine-dependent methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0009820 alkaloid metabolic process
GO:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:8uke, PDBe:8uke, PDBj:8uke
PDBsum8uke
PubMed38453941
UniProtA0A077EWA5|NOMT_NARAP Norbelladine 4'-O-methyltransferase (Gene Name=N4OMT)

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