Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only
Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

BioLiP

Structure of PDB 8yla Chain A Binding Site BS02

Receptor Information
>8yla Chain A (length=328) Species: 331117 (Aspergillus fischeri NRRL 181) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MEVWEHSRPIADDTIKKTPSFTTLPIRINKQNDVADAATRRALRDWDYYL
HDGLAERALISISELGNLGAFAYPEVPPERLAIVTYLTDLGILHDDGYEA
MDMDQARTEHREFGALFDPHEQLPSRRGTRAAKLKKLVSQILLEAIRIDR
DMGMYMFDMYNKGWLSVAGGEGKVPQFKSVEEYQAYRRDDFGIRAFWPMV
EFGMAMRLSDEDKKLIEPVMEPIDKAIIWTNDYWSFDREYHESITNGSRL
TNVVEVVRQIENKSIDEAKAAVRQLLVNLEQQYLERKRAIYAQNPSIPSH
LRKWIEVVGITVAGTHFWASCSPRHHAW
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 A Residue 403 [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)		N231 S235 E239
Binding residue
(residue number reindexed from 1)		N231 S235 E239
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]

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417