Structure of PDB 1nek Chain C Binding Site BS04

Receptor Information
>1nek Chain C (length=129) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRNVKKQRPVNLDLQTIRFPITAIASILHRVSGVITFVAVGILLWLLGT
SLSSPEGFEQASAIMGSFFVKFIMWGILTALAYHVVVGIRHMMMDFGYLE
ETFEAGKRSAKISFVITVVLSLLAGVLVW
Ligand information
Ligand IDUQ2
InChIInChI=1S/C19H26O4/c1-12(2)8-7-9-13(3)10-11-15-14(4)16(20)18(22-5)19(23-6)17(15)21/h8,10H,7,9,11H2,1-6H3/b13-10+
InChIKeySQQWBSBBCSFQGC-JLHYYAGUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)C\C=C(/C)\CCC=C(C)C
ACDLabs 10.04O=C1C(=C(C(=O)C(OC)=C1OC)C)C\C=C(/C)CC\C=C(/C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)CC=C(C)CCC=C(C)C
CACTVS 3.341COC1=C(OC)C(=O)C(=C(C)C1=O)C\C=C(/C)CCC=C(C)C
OpenEye OEToolkits 1.5.0CC1=C(C(=O)C(=C(C1=O)OC)OC)CC=C(C)CCC=C(C)C
FormulaC19 H26 O4
NameUBIQUINONE-2
ChEMBLCHEMBL1236595
DrugBankDB08690
ZINCZINC000001532641
PDB chain1nek Chain D Residue 306 [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)		F20 I28
Binding residue
(residue number reindexed from 1)		F20 I28
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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:1nek, PDBe:1nek, PDBj:1nek
PDBsum1nek
PubMed12560550
UniProtP69054|DHSC_ECOLI Succinate dehydrogenase cytochrome b556 subunit (Gene Name=sdhC)

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