Structure of PDB 3sfe Chain A Binding Site BS02

Receptor Information
>3sfe Chain A (length=613) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STQYPVVDHEFDAVVVGAGGAGLRAAFGLSEAGFNTACVTKLFPTRSHTV
AAQGGINAALGNMEEDNWRWHFYDTVKGSDWLGDQDAIHYMTEQAPASVV
ELENYGMPFSRTEDGKIYQRAFGGQSLKFGKGGQAHRCCCVADRTGHSLL
HTLYGRSLRYDTSYFVEYFALDLLMENGECRGVIALCIEDGSIHRIRARN
TVVATGGYGRTYFSCTSAHTSTGDGTAMVTRAGLPCQDLEFVQFHPTGIY
GAGCLITEGCRGEGGILINSQGERFMERYAPVAKDLASRDVVSRSMTLEI
REGRGCGPEKDHVYLQLHHLPPEQLAVRLPGISETAMIFAGVDVTKEPIP
VLPTVHYNMGGIPTNYKGQVLRHVNGQDQVVPGLYACGEAACASVHGANR
LGANSLLDLVVFGRACALSIAESCRPGDKVPSIKPNAGEESVMNLDKLRF
ANGTIRTSELRLSMQKSMQSHAAVFRVGSVLQEGCEKILRLYGDLQHLKT
FDRGMVWNTDLVETLELQNLMLCALQTIYGAEARKESRGAHAREDFKERV
DEYDYSKPIQGQQKKPFQEHWRKHTLSYVDVKTGKVSLEYRPVIDKTLNE
ADCATVPPAIRSY
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain3sfe Chain A Residue 701 [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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PDB3sfe Thiabendazole inhibits ubiquinone reduction activity of mitochondrial respiratory complex II via a water molecule mediated binding feature.
Resolution2.81 Å
Binding residue
(original residue number in PDB)		Q62 G63 F131 H254 L264 T266 E267 R298 H365 R409
Binding residue
(residue number reindexed from 1)		Q53 G54 F122 H245 L255 T257 E258 R289 H356 R400
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) F131 Q252 H254 L264 E267 R270 R298 H365 Y366 R409
Catalytic site (residue number reindexed from 1) F122 Q243 H245 L255 E258 R261 R289 H356 Y357 R400
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:0016627 oxidoreductase activity, acting on the CH-CH group of donors
GO:0050660 flavin adenine dinucleotide binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0006121 mitochondrial electron transport, succinate to ubiquinone
GO:0022900 electron transport chain
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner 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:3sfe, PDBe:3sfe, PDBj:3sfe
PDBsum3sfe
PubMed21822798
UniProtQ0QF01|SDHA_PIG Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial (Gene Name=SDHA)

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