Structure of PDB 7wgi Chain A Binding Site BS01

Receptor Information
>7wgi Chain A (length=349) Species: 5059 (Aspergillus flavus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NETETQKACFKFLDLTSRSFSAVIKELHPELLLPVCVFYLVLRGLDTIED
DTSIPLKTKEPMLREFKDYLEQDGWTFDGNRPEEKDRELLVQFHNVITEF
KNMKPAYREIVKDITDKMGNGMADYCRKAEFEDASVKTIEEYDLYCYYVA
GLVGEGLTRLFVEAEFGNPALLSRPRLHKSMGLFLQKTNIIRDVREDHDD
DRHFWPKEIWSKYVTEFEDLFKPENRETALNCGSEMVLNALEHAEECLFY
LAGLREQSVFNFCAIPQAMAIATLELCFRNPDMFDRNIKITKGEACQLMM
ESTQNLHVLCDTFRRYARRIHKKNTPKDPNFLKISIVCGKIEKFIDTIF
Ligand information
Ligand IDIND
InChIInChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChIKeySIKJAQJRHWYJAI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[nH]1ccc2ccccc12
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cc[nH]2
ACDLabs 10.04c1cccc2c1ccn2
FormulaC8 H7 N
NameINDOLE
ChEMBLCHEMBL15844
DrugBankDB04532
ZINCZINC000014516984
PDB chain7wgi Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wgi A Structural and Bioinformatics Investigation of a Fungal Squalene Synthase and Comparisons with Other Membrane Proteins.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		G189 L192 M216 L220
Binding residue
(residue number reindexed from 1)		G154 L157 M181 L185
Annotation score1
Enzymatic activity
Enzyme Commision number 2.5.1.21: squalene synthase.
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016765 transferase activity, transferring alkyl or aryl (other than methyl) groups
GO:0051996 squalene synthase [NAD(P)H] activity
Biological Process
GO:0006696 ergosterol biosynthetic process
GO:0008610 lipid biosynthetic process
GO:0009058 biosynthetic process
GO:0016126 sterol biosynthetic process
GO:0045338 farnesyl diphosphate metabolic process
Cellular Component
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7wgi, PDBe:7wgi, PDBj:7wgi
PDBsum7wgi
PubMed35811857
UniProtA0A364LX79

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