Structure of PDB 4ysx Chain F Binding Site BS04

Receptor Information
>4ysx Chain F (length=252) Species: 6253 (Ascaris suum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TGKRIKTFEIYRFNPEEPGAKPKLQKFDVDLDKCGTMVLDALIKIKNEVD
PTLTFRRSCREGICGSCAMNIAGENTLACICNIDQNTSKTTKIYPLPHMF
VIKDLVPDMNLFYAQYASIQPWLQKKTKINLGEKQQYQSIKEQEKLDGLY
ECILCACCSASCPSYWWNADKYLGPAVLMQAYRWIIDSRDDSAAERLARM
QDGFSAFKCHTIMNCTKTCPKHLNPARAIGEIKMLLTKMKTKPAPLPTPA
NF
Ligand information
Ligand IDE23
InChIInChI=1S/C19H20F3NO/c1-18(2,3)14-10-8-13(9-11-14)12-23-17(24)15-6-4-5-7-16(15)19(20,21)22/h4-11H,12H2,1-3H3,(H,23,24)
InChIKeyRYYHDFPDKHYSSE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC(C)(C)c1ccc(cc1)CNC(=O)c2ccccc2C(F)(F)F
ACDLabs 12.01O=C(NCc1ccc(cc1)C(C)(C)C)c2ccccc2C(F)(F)F
CACTVS 3.385CC(C)(C)c1ccc(CNC(=O)c2ccccc2C(F)(F)F)cc1
FormulaC19 H20 F3 N O
NameN-(4-tert-butylbenzyl)-2-(trifluoromethyl)benzamide
ChEMBL
DrugBank
ZINC
PDB chain4ysx 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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PDB4ysx Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Resolution2.25 Å
Binding residue
(original residue number in PDB)		P193 S194 W197 H240
Binding residue
(residue number reindexed from 1)		P163 S164 W167 H210
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:4ysx, PDBe:4ysx, PDBj:4ysx
PDBsum4ysx
PubMed26198225
UniProtO44074|SDHB_ASCSU Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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