Structure of PDB 3vra Chain B Binding Site BS04

Receptor Information

>3vra 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 ID

AT5

InChI

InChI=1S/C15H21Cl2NO5/c1-7(9(17)6-16)5-8(2)11(19)10-12(20)13(22-3)15(23-4)18-14(10)21/h7-9H,5-6H2,1-4H3,(H2,18,20,21)/t7-,8-,9-/m0/s1

InChIKey

OVULNOOPECCZRG-CIUDSAMLSA-N

SMILES

Software	SMILES
CACTVS 3.341	COC1=C(OC)C(=C(C(=O)N1)C(=O)[C@@H](C)C[C@H](C)[C@@H](Cl)CCl)O
ACDLabs 10.04	O=C(C1=C(O)C(OC)=C(OC)NC1=O)C(C)CC(C)C(Cl)CCl
OpenEye OEToolkits 1.5.0	CC(CC(C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)C(CCl)Cl
OpenEye OEToolkits 1.5.0	C[C@@H](C[C@H](C)C(=O)C1=C(C(=C(NC1=O)OC)OC)O)[C@H](CCl)Cl
CACTVS 3.341	COC1=C(OC)C(=C(C(=O)N1)C(=O)[CH](C)C[CH](C)[CH](Cl)CCl)O

Formula

C15 H21 Cl2 N O5

Name

3-[(2S,4S,5R)-5,6-DICHLORO-2,4-DIMETHYL-1-OXOHEXYL]-4-HYDROXY-5,6-DIMETHOXY-2(1H)-PYRIDINONE;
ATPENIN A5;
AA5

PDB chain

3vra 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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Structure summary

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PDB	3vra Crystal structure of mitochondrial quinol-fumarate reductase from parasitic nematode Ascaris suum
Resolution	3.44 Å
Binding residue (original residue number in PDB)	P193 W197 H240 I242
Binding residue (residue number reindexed from 1)	P161 W165 H208 I210
Annotation score	1

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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Cellular Component

External links

PDB	RCSB:3vra, PDBe:3vra, PDBj:3vra
PDBsum	3vra
PubMed
UniProt	O44074\|SDHB_ASCSU Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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