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DB00166 : lipoic acid

Approved nutraceutical lipoic acid ... 3 targets DB00166

Generic name: lipoic acid PDB Het Group: LPA
 
4 structures in PDB
Brand name(s): biletan, heparlipon, thioctsan.
Formula: C8H14O2S2
IUPAC Formula: 5-(1,2-Dithiolan-3-Yl)pentanoic acid
PDB name: Lipoic acid

3
There are 3 target proteins defined in DrugBank for this nutraceutical.
 3 
There are 3 PDB structures containing the nutraceutical molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank nutraceutical Target 1:   UniProt id: Q9Y234 (LIPT_HUMAN)  -  Lipoyltransferase 1, mitochondrial
UniProt id: Q9Y234    373 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank nutraceutical Target 2:   UniProt id: O43766 (LIAS_HUMAN)  -  Lipoic acid synthetase, mitochondrial
UniProt id: O43766    372 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank nutraceutical Target 3:   UniProt id: Q9Y289 (SC5A6_HUMAN)  -  Sodium-dependent multivitamin transporter
UniProt id: Q9Y289    635 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)

Key:    PfamA domain  PfamB domain

 

Other proteins with lipoic acid bound in the PDB

There are 3 "non-target" proteins in the PDB containing the lipoic acid molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the nutraceutical targets listed above.

Protein 1:   UniProt id: P15121 ()  -  Aldose reductase OS=Homo sapiens GN=AKR1B1 PE=1 SV=3
UniProt id: P15121    315 a.a.  
2iqd A   315 a.a. 315   X-ray 2.00 Å
The PDB contains 1 entry of lipoic acid bound to this protein
Protein 2:   UniProt id: P32099 ()  -  Lipoate-protein ligase A OS=Escherichia coli (strain K12) GN=lplA PE=1 SV=3
UniProt id: P32099    337 a.a.  
1x2h A,B,C   330 a.a. 330   X-ray 2.91 Å
The PDB contains 1 entry of lipoic acid bound to this protein
Protein 3:   UniProt id: Q9HKT1 ()  -  Lipoate-protein ligase A subunit 1 OS=Thermoplasma acidophilum (strain ATCC 25905 / DSM 1728 / JCM 9062 / NBRC 15155 / AMRC-C165) GN=lplA PE=1 SV=1
UniProt id: Q9HKT1    261 a.a.  
2c8m A,B,C,D   241 a.a. 240   X-ray 1.89 Å
The PDB contains 1 entry of lipoic acid bound to this protein

Key:    PfamA domain  Secondary structure  Bound drug molecule

The black crosses on the secondary structure diagrams indicate where the PDB and UniProt sequences differ.

 

Structure selection

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