Structure of PDB 2wu5 Chain K Binding Site BS02

Receptor Information
>2wu5 Chain K (length=122) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QRPVNLDLQTIRFPITAIASILHRVSGVITFVAVGILLWLLGTSLSSPEG
FEQASAIMGSFFVKFIMWGILTALAYHVVVGIRHMMMDFGYLEETFEAGK
RSAKISFVITVVLSLLAGVLVW
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 chain2wu5 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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PDB2wu5 Crystal Structure of the E. Coli Succinate:Quinone Oxidoreductase (Sqr) Sdhd His71met Mutant
Resolution2.803 Å
Binding residue
(original residue number in PDB)		F20 S27 I28 R31
Binding residue
(residue number reindexed from 1)		F13 S20 I21 R24
Annotation score1
Enzymatic activity
Enzyme Commision number 1.3.5.1: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0008177 succinate dehydrogenase (quinone) activity
GO:0009055 electron transfer activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0048039 ubiquinone binding
Biological Process
GO:0006099 tricarboxylic acid cycle
GO:0009060 aerobic respiration
GO:0017004 cytochrome complex assembly
GO:0019646 aerobic 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:2wu5, PDBe:2wu5, PDBj:2wu5
PDBsum2wu5
PubMed
UniProtP69054|DHSC_ECOLI Succinate dehydrogenase cytochrome b556 subunit (Gene Name=sdhC)

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