Structure of PDB 1nen Chain B Binding Site BS05

Receptor Information
>1nen Chain B (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 IDDNT
InChIInChI=1S/C13H18N2O5/c1-3-4-5-6-9(2)11-7-10(14(17)18)8-12(13(11)16)15(19)20/h7-9,16H,3-6H2,1-2H3
InChIKeyRROCMCBQTUYDSD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04[O-][N+](=O)c1cc(cc(c1O)C(CCCCC)C)[N+]([O-])=O
CACTVS 3.341CCCCC[CH](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
CACTVS 3.341CCCCC[C@H](C)c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O
OpenEye OEToolkits 1.5.0CCCCCC(C)c1cc(cc(c1O)[N+](=O)[O-])[N+](=O)[O-]
FormulaC13 H18 N2 O5
Name2-[1-METHYLHEXYL]-4,6-DINITROPHENOL
ChEMBL
DrugBankDB07671
ZINC
PDB chain1nen Chain C Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1nen Architecture of succinate dehydrogenase and reactive oxygen species generation
Resolution2.9 Å
Binding residue
(original residue number in PDB)		P160 W164 I209
Binding residue
(residue number reindexed from 1)		P160 W164 I209
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:1nen, PDBe:1nen, PDBj:1nen
PDBsum1nen
PubMed12560550
UniProtP07014|SDHB_ECOLI Succinate dehydrogenase iron-sulfur subunit (Gene Name=sdhB)

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