Structure of PDB 8ia9 Chain B Binding Site BS01

Receptor Information
>8ia9 Chain B (length=379) Species: 60894 (Saccharopolyspora spinosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTHEIETVERIILAAGSSAASLADLTTELGLARIAPVLIDEILFRAEPAP
DIERTEVAVQITHRGETVDFVLTLQSGELIKAEQRPVGDVPLRIGYELTD
LIAELFGPGAPRAVGARSTNFLRTTTSGSIPGPSELSDGFQAISAVVAGC
GHRRPDLNLLASHYRTDKWGGLHWFTPLYERHLGEFRDRPVRILEIGVGG
GESLKMWKRYFHRGLVFGMDVFDKSFLDQQRLCTVRADQSKPEELAAVDD
KYGPFDIIIDDGSHINGHVRTSLETLFPRLRSGGVYVIEDLWTTYAPGFG
GQAQCPAAPGTTVSLLKNLLEGVQHEEQPHAGSYEPSYLERNLVGLHTYH
NIAFLEKGVNAEGGVPAWVPRSLDDILHL
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8ia9 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ia9 Structural and computational insights into the regioselectivity of SpnK involved in rhamnose methylation of spinosyn.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D270 D299
Binding residue
(residue number reindexed from 1)		D261 D290
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0008168 methyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0032259 methylation

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Molecular Function
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Biological Process
External links
PDB RCSB:8ia9, PDBe:8ia9, PDBj:8ia9
PDBsum8ia9
PubMed37703985
UniProtQ9ALN2

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