Structure of PDB 3ae7 Chain B Binding Site BS04

Receptor Information
>3ae7 Chain B (length=239) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRIKKFAIYRWDPDKTGDKPHMQTYEIDLNNCGPMVLDALIKIKNEIDST
LTFRRSCREGICGSCAMNINGGNTLACTRRIDTNLDKVSKIYPLPHMYVI
KDLVPDLSNFYAQYKSIEPYLKKKDESQEGKQQYLQSIEEREKLDGLYEC
ILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDFTEERLAKLQD
PFSLYRCHTIMNCTGTCPKGLNPGKAIAEIKKMMATYKE
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 chain3ae7 Chain B Residue 1201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3ae7 Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Resolution3.62 Å
Binding residue
(original residue number in PDB)		P169 W173 H216 I218
Binding residue
(residue number reindexed from 1)		P161 W165 H208 I210
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:0048039 ubiquinone 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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Cellular Component
External links
PDB RCSB:3ae7, PDBe:3ae7, PDBj:3ae7
PDBsum3ae7
PubMed26198225
UniProtQ007T0|SDHB_PIG Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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