Structure of PDB 8yla Chain B Binding Site BS01

Receptor Information
>8yla Chain B (length=323) Species: 331117 (Aspergillus fischeri NRRL 181) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VWEHSRPIADDTIKKTPSFTTLPIRINKQNDVADAATRRALRDWDYYLHD
ALISISELGNLGAFAYPEVPPERLAIVTYLTDLGILHDDGYEAMDMDQAR
TEHREFGALFDPHEQLPSRRGTRAAKLKKLVSQILLEAIRIDRDMGMYMF
DMYNKGWLSVAGGEGKVPQFKSVEEYQAYRRDDFGIRAFWPMVEFGMAMR
LSDEDKKLIEPVMEPIDKAIIWTNDYWSFDREYHESITNGSRLTNVVEVV
RQIENKSIDEAKAAVRQLLVNLEQQYLERKRAIYAQNPSIPSHLRKWIEV
VGITVAGTHFWASCSPRHHAWRN
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 chain8yla Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8yla Structural Insights into the Terpene Cyclization Domains of Two Fungal Sesterterpene Synthases and Enzymatic Engineering for Sesterterpene Diversification.
Resolution1.3 Å
Binding residue
(original residue number in PDB)		D95 E99
Binding residue
(residue number reindexed from 1)		D88 E92
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.29: geranylgeranyl diphosphate synthase.
2.5.1.81: geranylfarnesyl diphosphate synthase.
4.2.3.176: sesterfisherol synthase.
External links
PDB RCSB:8yla, PDBe:8yla, PDBj:8yla
PDBsum8yla
PubMed38584136
UniProtA1DN30|NFSS_NEOFI Sesterfisherol synthase (Gene Name=NfSS)

[Back to BioLiP]