Structure of PDB 8yl9 Chain I Binding Site BS01

Receptor Information
>8yl9 Chain I (length=346) Species: 104259 (Penicillium brasilianum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFLSGAFHYSDSVNPSKYSPRPSDYFGTLPFRTSRFEREAADVTADYLRK
WQKAVKADNPERKDLVFHGSTTTLGHFVSWAYPECIPDRVDLCTQICDFG
FYWDDVTDSVNVQENAEITQDLALALLSELTLGQRLEPKLEINKIVVQML
WGVLDKDRKSGLEMIKFWKGHLDGQAESAHNMSFEEYTKHRLSEVGARWA
VEVGCWSLGINLSREKKDSVAHFVNKGLLAAALMNDYYSFNKEFDEHQRA
GSMDRLQNGLGILMREYGYTETEARSILREEIRKGERAIMDGYIAWRESA
DSSSESHELNRYIVMIILMIGGITFWSSHASRYHRDDLTTAGDRAM
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 chain8yl9 Chain I Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8yl9 Structural Insights into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.
Resolution2.75 Å
Binding residue
(original residue number in PDB)		D105 D109
Binding residue
(residue number reindexed from 1)		D104 D108
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.29: geranylgeranyl diphosphate synthase.
2.5.1.81: geranylfarnesyl diphosphate synthase.
4.2.3.-
External links
PDB RCSB:8yl9, PDBe:8yl9, PDBj:8yl9
PDBsum8yl9
PubMed38584136
UniProtA0A2Z6AQX7|PBSS_PENBI Sesterbrasiliatriene synthase PbSS (Gene Name=PbSS)

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