Structure of PDB 2fbw Chain B Binding Site BS04

Receptor Information
>2fbw Chain B (length=240) 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
DPFSLYRCHTIMNCTRTCPKGLNPGKAIAEIKKMMATYKE
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 chain2fbw 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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PDB2fbw 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.
Resolution2.06 Å
Binding residue
(original residue number in PDB)		P169 W173 H216
Binding residue
(residue number reindexed from 1)		P162 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:2fbw, PDBe:2fbw, PDBj:2fbw
PDBsum2fbw
PubMed16371358
UniProtQ9YHT2|SDHB_CHICK Succinate dehydrogenase [ubiquinone] iron-sulfur subunit, mitochondrial (Gene Name=SDHB)

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