Structure of PDB 2wqy Chain B Binding Site BS04

Receptor Information
>2wqy Chain B (length=239) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSRIKKFSIYRWDPDKPGDKPRMQTYEVDLNKCGPMVLDALIKIKNELDS
TLTFRRSCREGICGSCAMNIAGGNTLACTKKIDPDLSKTTKIYPLPHMYV
VKDLVPDLSNFYAQYKSIEPYLKKKDESKQGKEQYLQSIEDRQKLDGLYE
CILCACCSTSCPSYWWNGDKYLGPAVLMQAYRWMIDSRDDYTEERLAQLQ
DPFSLYRCHTIMNCTRTCPKGLNPGKAIAEIKKMMATYK
Ligand information
Ligand IDCBE
InChIInChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
InChIKeyGYSSRZJIHXQEHQ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC1=C(SCCO1)C(=O)Nc2ccccc2
ACDLabs 10.04O=C(C=1SCCOC=1C)Nc2ccccc2
FormulaC12 H13 N O2 S
Name2-METHYL-N-PHENYL-5,6-DIHYDRO-1,4-OXATHIINE-3-CARBOXAMIDE;
5,6-DIHYDRO-2-METHYL-1,4-OXATHIIN-3-CARBOXANILID;
CARBOXIN;
CBX
ChEMBLCHEMBL1231667
DrugBankDB04657
ZINCZINC000000043478
PDB chain2wqy Chain C Residue 144 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wqy 3-Nitropropionic Acid is a Suicide Inhibitor of Mitochondrial Respiration that, Upon Oxidation by Complex II, Forms a Covalent Adduct with a Catalytic Base Arginine in the Active Site of the Enzyme.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		W173 H216
Binding residue
(residue number reindexed from 1)		W166 H209
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.5.1: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0051536 iron-sulfur cluster binding
GO:0051537 2 iron, 2 sulfur cluster binding
Biological Process
GO:0006099 tricarboxylic acid cycle

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Molecular Function
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Biological Process
External links
PDB RCSB:2wqy, PDBe:2wqy, PDBj:2wqy
PDBsum2wqy
PubMed
UniProtQ9YHT2|SDHB_CHICK Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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