Structure of PDB 8c9s Chain A Binding Site BS03

Receptor Information
>8c9s Chain A (length=223) Species: 227882 (Streptomyces avermitilis MA-4680 = NBRC 14893) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SESQQLWDDVDDYFTTLLAPEDEALTAALRDSDAAGLPHINVAPNQGKLL
QLLAEIQGARRILEIGTLGGYSTIWLGRALPRDGRLISFEYDAKHAEVAR
RNLARAGLDGISEVRVGPALESLPKLADERPEPFDLVFIDADKVNNPHYV
EWALKLTRPGSLIVVDNVVRGGGVTDAGSTDPSVRGTRSALELIAEHPKL
SGTAVQTVGSKGYDGFALARVLP
Ligand information
Ligand IDBAQ
InChIInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKeyHNJBEVLQSNELDL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370O=C1CCCN1
ACDLabs 12.01O=C1NCCC1
OpenEye OEToolkits 1.7.6C1CC(=O)NC1
FormulaC4 H7 N O
Namepyrrolidin-2-one
ChEMBLCHEMBL276849
DrugBank
ZINCZINC000014684428
PDB chain8c9s Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8c9s Structural Characterization and Extended Substrate Scope Analysis of Two Mg 2+ -Dependent O-Methyltransferases from Bacteria.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Q47 L51 D167 F217
Binding residue
(residue number reindexed from 1)		Q46 L50 D166 F216
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:8c9s, PDBe:8c9s, PDBj:8c9s
PDBsum8c9s
PubMed36942619
UniProtQ82B68

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