Structure of PDB 3vr8 Chain H Binding Site BS02

Receptor Information
>3vr8 Chain H (length=129) Species: 6253 (Ascaris suum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSAAVTGAAPPQFDPIAAEKGFKPLHSHGTLFKIERYFAAAMVPLIPAAY
FIHGREMDLCLALALTLHVHWGVWGVVNDYGRPFVLGDTLAAAVRVGAYI
FTACLLAGLLYFNEHDVGLTRAFEMVWEL
Ligand information
Ligand IDRQX
InChIInChI=1S/C15H21NO3/c1-5-6-9(2)7-8-11-10(3)13(17)12(16)15(19-4)14(11)18/h7H,5-6,8,16H2,1-4H3/b9-7+
InChIKeyFKFYBWHBXHCWCD-VQHVLOKHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6CCCC(=CCC1=C(C(=O)C(=C(C1=O)OC)N)C)C
OpenEye OEToolkits 1.7.6CCC/C(=C/CC1=C(C(=O)C(=C(C1=O)OC)N)C)/C
CACTVS 3.370CCCC(/C)=C/CC1=C(C)C(=O)C(=C(OC)C1=O)N
CACTVS 3.370CCCC(C)=CCC1=C(C)C(=O)C(=C(OC)C1=O)N
ACDLabs 12.01O=C1C(=C(C(=O)C(=C1OC)N)C)C\C=C(/C)CCC
FormulaC15 H21 N O3
Name2-amino-3-methoxy-6-methyl-5-[(2E)-3-methylhex-2-en-1-yl]cyclohexa-2,5-diene-1,4-dione
ChEMBL
DrugBank
ZINCZINC000103555753
PDB chain3vr8 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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PDB3vr8 Crystal structure of mitochondrial quinol-fumarate reductase from the parasitic nematode Ascaris suum
Resolution2.81 Å
Binding residue
(original residue number in PDB)		D106 Y107
Binding residue
(residue number reindexed from 1)		D79 Y80
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008177 succinate dehydrogenase (quinone) activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0048039 ubiquinone binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006121 mitochondrial electron transport, succinate to ubiquinone
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005740 mitochondrial envelope
GO:0005743 mitochondrial inner membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane
GO:0043231 intracellular membrane-bounded organelle
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:3vr8, PDBe:3vr8, PDBj:3vr8
PDBsum3vr8
PubMed22577165
UniProtP92507|DHSD1_ASCSU Succinate dehydrogenase [ubiquinone] cytochrome b small subunit 1, mitochondrial (Gene Name=SDHD1)

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