Structure of PDB 1nek Chain A Binding Site BS01

Receptor Information
>1nek Chain A (length=588) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKLPVREFDAVVIGAGGAGMRAALQISQSGQTCALLSKVFPTRSHTVSAQ
GGITVALGNTHEDNWEWHMYDTVKGSDYIGDQDAIEYMCKTGPEAILELE
HMGLPFSRLDDGRIYQRPFGGQSKNFGGEQAARTAAAADRTGHALLHTLY
QQNLKNHTTIFSEWYALDLVKNQDGAVVGCTALCIETGEVVYFKARATVL
ATGGAGRIYQSTTNAHINTGDGVGMAIRAGVPVQDMEMWQFHPTGIAGAG
VLVTEGCRGEGGYLLNKHGERFMERYAPNAKDLAGRDVVARSIMIEIREG
RGCDGPWGPHAKLKLDHLGKEVLESRLPGILELSRTFAHVDPVKEPIPVI
PTCHYMMGGIPTKVTGQALTVNEKGEDVVVPGLFAVGEIACVSVHGANRL
GGNSLLDLVVFGRAAGLHLQESIAEQGALRDASESDVEASLDRLNRWNNN
RNGEDPVAIRKALQECMQHNFSVFREGDAMAKGLEQLKVIRERLKNARLD
DTSSEFNTQRVECLELDNLMETAYATAVSANFRTESRGAHSRFDFPDRDD
ENWLCHSLYLPESESMTRRSVNMEPKLRPAFPPKIRTY
Ligand information
Ligand IDOAA
InChIInChI=1S/C4H4O5/c5-2(4(8)9)1-3(6)7/h1H2,(H,6,7)(H,8,9)/p-1
InChIKeyKHPXUQMNIQBQEV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)CC(=O)C(=O)O
OpenEye OEToolkits 1.5.0C(C(=O)C(=O)O)C(=O)[O-]
CACTVS 3.341OC(=O)C(=O)CC([O-])=O
FormulaC4 H3 O5
NameOXALOACETATE ION
ChEMBL
DrugBankDB02637
ZINC
PDB chain1nek Chain A Residue 589 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nek Architecture of succinate dehydrogenase and reactive oxygen species generation.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		F126 H242 T254 E255 H354 R399 G401 G402
Binding residue
(residue number reindexed from 1)		F126 H242 T254 E255 H354 R399 G401 G402
Annotation score2
Enzymatic activity
Catalytic site (original residue number in PDB) F119 T213 W239 Q240 H242 L252 E255 R258 R286 L323 I347 H354 Y355 N398 R399
Catalytic site (residue number reindexed from 1) F119 T213 W239 Q240 H242 L252 E255 R258 R286 L323 I347 H354 Y355 N398 R399
Enzyme Commision number 1.3.5.1: succinate dehydrogenase.
Gene Ontology
Molecular Function
GO:0000104 succinate dehydrogenase activity
GO:0005515 protein binding
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:0009060 aerobic respiration
GO:0009061 anaerobic respiration
GO:0019646 aerobic electron transport chain
GO:0022900 electron transport chain
Cellular Component
GO:0005886 plasma membrane
GO:0016020 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:1nek, PDBe:1nek, PDBj:1nek
PDBsum1nek
PubMed12560550
UniProtP0AC41|SDHA_ECOLI Succinate dehydrogenase flavoprotein subunit (Gene Name=sdhA)

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