Structure of PDB 8h4p Chain B Binding Site BS02

Receptor Information

>8h4p Chain B (length=326) Species: 229533 (Fusarium graminearum PH-1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

KPSLPSSEGGDPALAARLQPLYSRFLTDLDLQPEYRRHESEKLMEEVLKF
AKSTGVPHDLNSHSYQSLMVGYTYADNCLPYHDIEVKVYVAIYTWLATIC
DDAEALGIIDDVQLFEQRFILGEEQPTVLLRAFADQLKLTYKLYHPLVAN
LILCSSLNLLTSTSLVARKGIKEKGDHPSKGGNYFAWYIRERDGVGEAYS
WFTFPKRQFPNLDIPIEAIEDMTRFIAYLNDVLSFYKESLAGETHNYINH
TAAYEGVDSDAALHKTAQDTIDCARRIESVLAGKGEYEKAWRLHASGYLQ
MHVQRGRYRLIEVGVGDAPDVHEVIK

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

8h4p Chain B Residue 405 [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	8h4p Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
Resolution	1.47 Å
Binding residue (original residue number in PDB)	N243 S247 E251
Binding residue (residue number reindexed from 1)	N230 S234 E238
Annotation score	4

Enzymatic activity

Enzyme Commision number

4.2.3.-

Gene Ontology

	Molecular Function
GO:0016829	lyase activity
GO:0016838	carbon-oxygen lyase activity, acting on phosphates
GO:0046872	metal ion binding

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Molecular Function

External links

PDB	RCSB:8h4p, PDBe:8h4p, PDBj:8h4p
PDBsum	8h4p
PubMed	37018048
UniProt	I1S104\|CLM1_GIBZE Longiborneol synthase CLM1 (Gene Name=CLM1)

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