Structure of PDB 8iaa Chain A Binding Site BS02

Receptor Information

>8iaa Chain A (length=382) Species: 60894 (Saccharopolyspora spinosa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

THEIETVERIILAAGSSAASLADLTTELGLARIAPVLIDEILFRAEPAPD
IERTEVAVQITHRGETVDFVLTLQSGELIKAEQRPVGDVPLRIGYELTDL
IAELFGPGAPRAVGARSTNFLRTTTSGSIPGPSELSDGFQAISAVVAGCG
HRRPDLNLLASHYRTDKWGGLHWFTPLYERHLGEFRDRPVRILEIGVGGY
NFDGGGGESLKMWKRYFHRGLVFGMDVFDKSFLDQQRLCTVRADQSKPEE
LAAVDDKYGPFDIIIDDGSHINGHVRTSLETLFPRLRSGGVYVIEDLWTT
YAPGFGGQAQCPAAPGTTVSLLKNLLEGVQHEEQPHAGSYEPSYLERNLV
GLHTYHNIAFLEKGVNAEGGVPAWVPRSLDDI

Ligand information

Ligand ID

InChI

InChI=1S/Mg/q+2

InChIKey

JLVVSXFLKOJNIY-UHFFFAOYSA-N

SMILES

Software	SMILES
ACDLabs 10.04 OpenEye OEToolkits 1.5.0	[Mg+2]
CACTVS 3.341	[Mg++]

Formula

Name

MAGNESIUM ION

PDB chain

8iaa Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	8iaa Structural and computational insights into the regioselectivity of SpnK involved in rhamnose methylation of spinosyn.
Resolution	2.1 Å
Binding residue (original residue number in PDB)	H175 D270 E298 D299
Binding residue (residue number reindexed from 1)	H172 D267 E295 D296
Annotation score	4

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:8iaa, PDBe:8iaa, PDBj:8iaa
PDBsum	8iaa
PubMed	37703985
UniProt	Q9ALN2

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