Structure of PDB 2fbw Chain A Binding Site BS02

Receptor Information
>2fbw Chain A (length=612) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TQYPVVDHEFDAVVVGAGGAGLRAAFGLSEAGFNTACVTKLFPTRSHTVA
AQGGINAALGNMEDDNWRWHFYDTVKGSDWLGDQDAIHYMTEQAPAAVIE
LENYGMPFSRTEEGKIYQRAFGGQSLQFGKGGQAHRCCCVADRTGHSLLH
TLYGRSLRYDTSYFVEYFALDLLMENGECRGVIALCIEDGTIHRFRAKNT
VIATGGYGRTYFSCTSAHTSTGDGTAMVTRAGLPCQDLEFVQFHPTGIYG
AGCLITEGCRGEGGILINSQGERFMERYAPVAKDLASRDVVSRSMTIEIR
EGRGCGPEKDHVYLQLHHLPPQQLATRLPGISETAMIFAGVDVTKEPIPV
LPTVHYNMGGIPTNYKGQVITHVNGEDKVVPGLYACGEAASASVHGANRL
GANSLLDLVVFGRACALTIAETCKPGEPVPSIKPNAGEESVANLDKLRFA
DGTIRTSEARLNMQKTMQSHAAVFRTGSILQEGCEKLSQIYRDLAHLKTF
DRGIVWNTDLVETLELQNLMLCALQTIYGAEARKESRGAHAREDYKLRID
EFDYSKPLQGQQKRPFEEHWRKHTLSYVDVKSGKVTLKYRPVIDRTLNEE
DCSSVPPAIRSY
Ligand information
Ligand IDY3P
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1,5H,(H,6,7)(H,8,9)/b2-1-
InChIKeyUWYVPFMHMJIBHE-UPHRSURJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385OC(=O)/C=C(O)/C(O)=O
CACTVS 3.385OC(=O)C=C(O)C(O)=O
OpenEye OEToolkits 2.0.7C(=C(/C(=O)O)\O)\C(=O)O
OpenEye OEToolkits 2.0.7C(=C(C(=O)O)O)C(=O)O
FormulaC4 H4 O5
Name(~{Z})-2-oxidanylbut-2-enedioic acid
ChEMBL
DrugBank
ZINCZINC000100066920
PDB chain2fbw Chain A Residue 1002 [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)		G62 F130 H253 L263 T265 E266 R297 H364 R408 G410 A411
Binding residue
(residue number reindexed from 1)		G53 F121 H244 L254 T256 E257 R288 H355 R399 G401 A402
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) F130 Q251 H253 L263 E266 R269 R297 H364 Y365 R408
Catalytic site (residue number reindexed from 1) F121 Q242 H244 L254 E257 R260 R288 H355 Y356 R399
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: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:0006105 succinate metabolic process
GO:0006121 mitochondrial electron transport, succinate to ubiquinone
GO:0022900 electron transport chain
GO:0022904 respiratory 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:2fbw, PDBe:2fbw, PDBj:2fbw
PDBsum2fbw
PubMed16371358
UniProtQ9YHT1|SDHA_CHICK Succinate dehydrogenase [ubiquinone] flavoprotein subunit, mitochondrial (Gene Name=SDHA)

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