spacer
spacer

Search 

DB00627 : niacin

Approved nutraceutical niacin ... 4 targets DB00627

Generic name: niacin PDB Het Group: NIO
 
25 structures in PDB
Brand name(s): akotin, anti-pellagra vitamin, apelagrin, bionic, daskil, davitamon pp, diacin, direktan, efacin, kyselina nikotinova, linic, nico, naotin, niac, niaspan, nicacid, nicangin, nico-span, nicocidin, nicocrisina, nicodan, nicodelmine, nicodon, niconacid, niconat, niconazid, nicorol, nicosan 3, nicoside, nicosyl, nicotamin, nicotene, nicotil, nicotinipca, nicotinsaure, nicovasan, nicovasen, nicyl, nipellen, nyclin, p.p. factor, pp factor, pellagra preventive factor, pellagramin, pellagrin, pelonin, peviton, simcor, sk-niacin, tega-span, tinic, vitaplex n.
Formula: C6H5No2
IUPAC Formula: Pyridine-3-Carboxylic acid
PDB name: Nicotinic acid

4
There are 4 target proteins defined in DrugBank for this nutraceutical.
 2 
2 of these target proteins have one or more structures in the PDB.
 12 
There are 12 PDB structures containing the nutraceutical molecule bound to a protein that is not specified as a target.
Links  
DrugBank
RxList
ChEBI
KEGG drug
PubChem
MSDChem
Ligand Expo
HIC-Up
Information  
Pharmacology
Indication
Action

 

Target proteins

DrugBank nutraceutical Target 1:   UniProt id: P49019 (HCAR3_HUMAN)  -  Nicotinic acid receptor 2
UniProt id: P49019    387 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: Q8TDS4 (HCAR2_HUMAN)  -  Nicotinic acid receptor 1
UniProt id: Q8TDS4    363 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: Q15274 (NADC_HUMAN)  -  Nicotinate-nucleotide pyrophosphorylase [carboxylating]
UniProt id: Q15274    296 a.a.  
1. 2jbm A,B,C,D,...     290 a.a. 288   X-ray 2.00 Å
  2. 3lar A,B,C,F     289 a.a. 287   X-ray 2.80 Å
  3. 4kww A,B,C,D,...     285 a.a. 285   X-ray 2.55 Å
  4. 4kwv A,B,C,D,...     285 a.a. 285   X-ray 2.80 Å
There are no PDB entries containing niacin bound to this target protein, although there are 4 entries of the target protein (click the orange, plus icon for a list).
DrugBank nutraceutical Target 4:   UniProt id: P40261 (NNMT_HUMAN)  -  Nicotinamide N-methyltransferase
UniProt id: P40261    264 a.a.  
1. 3rod A,B,C,D     259 a.a. 256   X-ray 2.72 Å
  2. 2iip A,B     265 a.a. 252   X-ray 2.05 Å
There are no PDB entries containing niacin bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

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

 

Other proteins with niacin bound in the PDB

There are 10 "non-target" proteins in the PDB containing the niacin 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: A1TY68 ()  -  Anti-ECFsigma factor, ChrR OS=Marinobacter hydrocarbonoclasticus (strain ATCC 700491 / DSM 11845 / VT8) GN=Maqu_0586 PE=1 SV=1
UniProt id: A1TY68    222 a.a.  
3o14 A,B   222 a.a. 221   X-ray 1.70 Å
The PDB contains 1 entry of niacin bound to this protein
Protein 2:   UniProt id: A4HRG8 ()  -  Alpha/beta-hydrolase-like protein OS=Leishmania infantum GN=LINJ_01_0470 PE=1 SV=1
UniProt id: A4HRG8    217 a.a.  
3r2j A,B,C,D   199 a.a. 199   X-ray 2.68 Å
The PDB contains 1 entry of niacin bound to this protein
Protein 3:   UniProt id: B0VA03 ()  -  Bifunctional protein OS=Acinetobacter baumannii (strain AYE) GN=pncA PE=1 SV=1
UniProt id: B0VA03    213 a.a.  
2wt9 A,B   207 a.a. 207   X-ray 1.65 Å
The PDB contains 1 entry of niacin bound to this protein
Protein 4:   UniProt id: O25423 ()  -  Uncharacterized protein OS=Helicobacter pylori (strain ATCC 700392 / 26695) GN=C694_03710 PE=1 SV=1
UniProt id: O25423    151 a.a.  
2xrh A   100 a.a. 93   X-ray 1.50 Å
The PDB contains 1 entry of niacin bound to this protein
Protein 5:   UniProt id: P24627 ()  -  Lactotransferrin OS=Bos taurus GN=LTF PE=1 SV=2
UniProt id: P24627    707 a.a.  
3ci8 A   341 a.a. 339   X-ray 2.40 Å
The PDB contains 1 entry of niacin bound to this protein
Protein 6:   UniProt id: P38489 ()  -  Oxygen-insensitive NAD(P)H nitroreductase OS=Escherichia coli (strain K12) GN=nfnB PE=1 SV=1
UniProt id: P38489    216 a.a.  
1. 1icr A,B   216 a.a. 216   X-ray 1.70 Å
  2. 1icu A,B,C,D   216 a.a. 216   X-ray 1.80 Å
  3. 1icv A,B,C,D   216 a.a. 216   X-ray 2.40 Å
The PDB contains 3 entries of niacin bound to this protein
Protein 7:   UniProt id: P68400 ()  -  Casein kinase II subunit alpha OS=Homo sapiens GN=CSNK2A1 PE=1 SV=1
UniProt id: P68400    390 a.a.  
3war A   334 a.a. 334   X-ray 1.04 Å
The PDB contains 1 entry of niacin bound to this protein
Protein 8:   UniProt id: Q0QLF2 ()  -  Nicotinate dehydrogenase large molybdopterin subunit OS=Eubacterium barkeri GN=ndhL PE=1 SV=1
UniProt id: Q0QLF2    424 a.a.  
3hrd A,E   420 a.a. 420   X-ray 2.20 Å
The PDB contains 1 entry of niacin bound to this protein
Protein 9:   UniProt id: Q2RWX8 ()  -  Twin-arginine translocation pathway signal OS=Rhodospirillum rubrum (strain ATCC 11170 / NCIB 8255) GN=Rru_A0563 PE=1 SV=1
UniProt id: Q2RWX8    420 a.a.  
3i45 A   378 a.a. 376   X-ray 1.36 Å
The PDB contains 1 entry of niacin bound to this protein
Protein 10:   UniProt id: Q830Y8 ()  -  Nicotinate phosphoribosyltransferase OS=Enterococcus faecalis (strain ATCC 700802 / V583) GN=EF_2626 PE=1 SV=1
UniProt id: Q830Y8    493 a.a.  
2f7f A   482 a.a. 481   X-ray 2.00 Å
The PDB contains 1 entry of niacin 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.

Where there is more than one PDB model for a given UniProt sequence, the models are ordered by: 1. decreasing order of similarity to the UniProt sequence, 2. X-ray structures (in order of increasing resolution), NMR structures, and theoretical models. Clicking on any PDB code take you to the corresponding PDBsum page.

 

Structure selection

Use the checkboxes above to select the structure(s) of interest, and then press the required button below to view:
View 3D structure
Select preferred viewer and click on 3D struct button
AstexViewer™@MSD-EBI
RasMol
STRAP multiple alignment viewer
LIGPLOT diagrams
Press button below for LIGPLOT diagrams of nutraceutical-protein interactions in all selected structures above.

  spacer

spacer