Structure of PDB 4ysx Chain H Binding Site BS02

Receptor Information
>4ysx Chain H (length=129) Species: 6253 (Ascaris suum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSAAVTGAAPPQFDPIAAEKGFKPLHSHGTLFKIERYFAAAMVPLIPAAY
FIHGREMDLCLALALTLHVHWGVWGVVNDYGRPFVLGDTLAAAVRVGAYI
FTACLLAGLLYFNEHDVGLTRAFEMVWEL
Ligand information
Ligand IDE23
InChIInChI=1S/C19H20F3NO/c1-18(2,3)14-10-8-13(9-11-14)12-23-17(24)15-6-4-5-7-16(15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyRYYHDFPDKHYSSE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F
ACDLabs 12.01O=C(NCc1ccc(cc1)C(C)(C)C)c2ccccc2C(F)(F)F
CACTVS 3.385CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
FormulaC19 H20 F3 N O
NameN-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
ChEMBL
DrugBank
ZINC
PDB chain4ysx Chain G Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ysx Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Resolution2.25 Å
Binding residue
(original residue number in PDB)		D106 Y107
Binding residue
(residue number reindexed from 1)		D79 Y80
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008177 succinate dehydrogenase (quinone) activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0048039 ubiquinone binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006121 mitochondrial electron transport, succinate to ubiquinone
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005740 mitochondrial envelope
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0045273 respiratory chain complex II (succinate dehydrogenase)

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4ysx, PDBe:4ysx, PDBj:4ysx
PDBsum4ysx
PubMed26198225
UniProtP92507|DHSD1_ASCSU Succinate dehydrogenase [ubiquinone] cytochrome b small subunit 1, mitochondrial (Gene Name=SDHD1)

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