Structure of PDB 3vr8 Chain B Binding Site BS04

Receptor Information
>3vr8 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 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 C Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3vr8 Crystal structure of mitochondrial quinol-fumarate reductase from the parasitic nematode Ascaris suum
Resolution2.81 Å
Binding residue
(original residue number in PDB)		W197 I242
Binding residue
(residue number reindexed from 1)		W165 I210
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)

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3vr8, PDBe:3vr8, PDBj:3vr8
PDBsum3vr8
PubMed22577165
UniProtO44074|SDHB_ASCSU Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

[Back to BioLiP]