Structure of PDB 3vr9 Chain B Binding Site BS04

Receptor Information
>3vr9 Chain B (length=249) 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
GFSAFKCHTIMNCTKTCPKHLNPARAIGEIKMLLTKMKTKPAPLPTPAN
Ligand information
Ligand IDFTN
InChIInChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeyPTCGDEVVHUXTMP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
OpenEye OEToolkits 1.7.0CC(C)Oc1cccc(c1)NC(=O)c2ccccc2C(F)(F)F
FormulaC17 H16 F3 N O2
NameN-[3-(1-methylethoxy)phenyl]-2-(trifluoromethyl)benzamide;
flutolanil;
N-(3-Isopropoxy-phenyl)-2-trifluoromethylbenzamide
ChEMBLCHEMBL487185
DrugBank
ZINCZINC000000001479
PDB chain3vr9 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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PDB3vr9 Crystal structure of mitochondrial quinol-fumarate reductase from parasitic nematode Ascaris suum
Resolution3.01 Å
Binding residue
(original residue number in PDB)		P193 W197 H240
Binding residue
(residue number reindexed from 1)		P161 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:3vr9, PDBe:3vr9, PDBj:3vr9
PDBsum3vr9
PubMed
UniProtO44074|SDHB_ASCSU Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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