Structure of PDB 4ysz Chain F Binding Site BS04

Receptor Information
>4ysz Chain F (length=250) Species: 6253 (Ascaris suum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRIKTFEIYRFNPEEPGAKPKLQKFDVDLDKCGTMVLDALIKIKNEVDPT
LTFRRSCREGICGSCAMNIAGENTLACICNIDQNTSKTTKIYPLPHMFVI
KDLVPDMNLFYAQYASIQPWLQKKTKINLGEKQQYQSIKEQEKLDGLYEC
ILCACCSASCPSYWWNADKYLGPAVLMQAYRWIIDSRDDSAAERLARMQD
GFSAFKCHTIMNCTKTCPKHLNPARAIGEIKMLLTKMKTKPAPLPTPANF
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 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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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)		P193 S194 W196 W197 H240
Binding residue
(residue number reindexed from 1)		P161 S162 W164 W165 H208
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.5.1: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008177 succinate dehydrogenase (quinone) activity
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051538 3 iron, 4 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006121 mitochondrial electron transport, succinate to ubiquinone
GO:0009060 aerobic respiration
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0031966 mitochondrial membrane
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
UniProtO44074|SDHB_ASCSU Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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