Structure of PDB 8h72 Chain B Binding Site BS01

Receptor Information

>8h72 Chain B (length=317) Species: 1314807 (Dendrothele bispora CBS 962.96) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

TRFFIPDTLANWPWPRALNPAYEQCKADSAAWCEKYKAFSPKAQKAFNLC
DFNLLASLAYAHLPEDVNRVGCDLMNLFFVVDEHSVHVWVEIIMDALRNP
TKPRPDDEPIVGEISRTFWENAIKCLGPTSQKRFIETFETYLYAVIVQAD
DRFRDVDSYMVVRRDTIGAKPSFALLEHNMDLPDDVFNHPLLEDLRTWCI
DMLILGNDLCSYNVEQSRGDDGHNIVKLVMLQENIDLHGAMQYISDMHDD
LADKFLRNYKNMPSWGQPIDEWVTRYIEGLGNWVRANDAWSFESWRYFKY
DGLRIQKERWVELLPPA

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

8h72 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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Structure summary

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PDB	8h72 Structural Insights into Three Sesquiterpene Synthases for the Biosynthesis of Tricyclic Sesquiterpenes and Chemical Space Expansion by Structure-Based Mutagenesis.
Resolution	2.09 Å
Binding residue (original residue number in PDB)	N233 D234 S237
Binding residue (residue number reindexed from 1)	N207 D208 S211
Annotation score	1

Enzymatic activity

Enzyme Commision number

4.2.3.135: Delta(6)-protoilludene synthase.

Gene Ontology

	Molecular Function
GO:0016829	lyase activity
GO:0046872	metal ion binding

View graph for
Molecular Function

External links

PDB	RCSB:8h72, PDBe:8h72, PDBj:8h72
PDBsum	8h72
PubMed	37018048
UniProt	A0A4S8MAF3\|PROS_DENBC Delta(6)-protoilludene synthase K435DRAFT_659367 (Gene Name=K435DRAFT_659367)

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