Structure of PDB 3abv Chain B Binding Site BS03

Receptor Information
>3abv 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 IDF6A
InChIInChI=1S/C20H14F3NO/c21-20(22,23)18-12-5-4-11-17(18)19(25)24-16-10-6-9-15(13-16)14-7-2-1-3-8-14/h1-13H,(H,24,25)
InChIKeyGASNDSAXXYXEMO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352FC(F)(F)c1ccccc1C(=O)Nc2cccc(c2)c3ccccc3
OpenEye OEToolkits 1.7.0c1ccc(cc1)c2cccc(c2)NC(=O)c3ccccc3C(F)(F)F
FormulaC20 H14 F3 N O
NameN-biphenyl-3-yl-2-(trifluoromethyl)benzamide
ChEMBL
DrugBank
ZINCZINC000064746657
PDB chain3abv 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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PDB3abv Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Resolution3.24 Å
Binding residue
(original residue number in PDB)		W173 H216
Binding residue
(residue number reindexed from 1)		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: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:3abv, PDBe:3abv, PDBj:3abv
PDBsum3abv
PubMed26198225
UniProtQ007T0|SDHB_PIG Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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