Structure of PDB 2wdq Chain J Binding Site BS04

Receptor Information
>2wdq Chain J (length=238) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRLEFSIYRYNPDVDDAPRMQDYTLEADEGRDMMLLDALIQLKEKDPSLS
FRRSCREGVCGSDGLNMNGKNGLACITPISALNQPGKKIVIRPLPGLPVI
RDLVVDMGQFYAQYEKIKPYLLNNGQNPPAREHLQMPEQREKLDGLYECI
LCACCSTSCPSFWWNPDKFIGPAGLLAAYRFLIDSRDTETDSRLDGLSDA
FSVFRCHSIMNCVSVCPKGLNPTRAIGHIKSMLLQRNA
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 chain2wdq Chain K Residue 1130 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wdq Structure of Escherichia coli succinate:quinone oxidoreductase with an occupied and empty quinone-binding site.
Resolution2.4 Å
Binding residue
(original residue number in PDB)		P160 W164 H207
Binding residue
(residue number reindexed from 1)		P160 W164 H207
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:0009060 aerobic respiration
GO:0019646 aerobic electron transport chain
GO:0022904 respiratory electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2wdq, PDBe:2wdq, PDBj:2wdq
PDBsum2wdq
PubMed19710024
UniProtP07014|SDHB_ECOLI Succinate dehydrogenase iron-sulfur subunit (Gene Name=sdhB)

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