Structure of PDB 4ysz Chain D Binding Site BS02

Receptor Information
>4ysz Chain D (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 ID12J
InChIInChI=1S/C16H16INO2/c1-11(2)20-13-7-5-6-12(10-13)18-16(19)14-8-3-4-9-15(14)17/h3-11H,1-2H3,(H,18,19)
InChIKeyNBAUMFNNRDRNGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0CC(C)Oc1cccc(c1)NC(=O)c2ccccc2I
CACTVS 3.352CC(C)Oc1cccc(NC(=O)c2ccccc2I)c1
FormulaC16 H16 I N O2
Name2-iodo-N-[3-(1-methylethoxy)phenyl]benzamide;
2-Iodo-N-(3-isopropoxyphenyl)benzamide
ChEMBL
DrugBank
ZINCZINC000014796278
PDB chain4ysz Chain C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ysz Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Resolution3.3 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:4ysz, PDBe:4ysz, PDBj:4ysz
PDBsum4ysz
PubMed26198225
UniProtP92507|DHSD1_ASCSU Succinate dehydrogenase [ubiquinone] cytochrome b small subunit 1, mitochondrial (Gene Name=SDHD1)

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