Structure of PDB 5c2t Chain F Binding Site BS04

Receptor Information
>5c2t 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 ID4YP
InChIInChI=1S/C18H25NO3/c1-11(2)7-6-8-12(3)9-10-14-13(4)16(20)15(19)18(22-5)17(14)21/h7,9H,6,8,10,19H2,1-5H3/b12-9+
InChIKeyWWFOMDYINFXROF-FMIVXFBMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.9.2CC1=C(C(=O)C(=C(C1=O)N)OC)CC=C(C)CCC=C(C)C
CACTVS 3.385COC1=C(N)C(=O)C(=C(CC=C(C)CCC=C(C)C)C1=O)C
OpenEye OEToolkits 1.9.2CC1=C(C(=O)C(=C(C1=O)N)OC)C/C=C(\C)/CCC=C(C)C
CACTVS 3.385COC1=C(N)C(=O)C(=C(C/C=C(C)/CCC=C(C)C)C1=O)C
ACDLabs 12.01CC(=[C@H]CCC(=[C@H]CC=1C(C(=C(C(C=1C)=O)N)OC)=O)C)C
FormulaC18 H25 N O3
Name2-amino-5-[(2E)-3,7-dimethylocta-2,6-dien-1-yl]-3-methoxy-6-methylcyclohexa-2,5-diene-1,4-dione;
rhodoquinone-2
ChEMBL
DrugBank
ZINCZINC000263621203
PDB chain5c2t Chain G Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5c2t Structural Insights into the Molecular Design of Flutolanil Derivatives Targeted for Fumarate Respiration of Parasite Mitochondria
Resolution2.75 Å
Binding residue
(original residue number in PDB)		P193 W197
Binding residue
(residue number reindexed from 1)		P161 W165
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:5c2t, PDBe:5c2t, PDBj:5c2t
PDBsum5c2t
PubMed26198225
UniProtO44074|SDHB_ASCSU Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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