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DB00141 : n-acetyl-d-glucosamine

Approved nutraceutical n-acetyl-d-glucosamine ... 8 targets DB00141

Generic name: n-acetyl-d-glucosamine PDB Het Group: NAG
 
3144 structures in PDB
Brand name(s): aflexa, gs-500, maxi gs, natures blend glucosamine.
Formula: C8H15No6
IUPAC Formula: N-[(2r,3r,4s,5r)-3,4,5,6-Tetrahydroxy-1-Oxohexan-2-Yl]acetamide
PDB name: N-Acetyl-D-Glucosamine

8
There are 8 target proteins defined in DrugBank for this nutraceutical.
 2 
2 of these target proteins have one or more structures in the PDB.
 13 
There are 13 PDB structures of the nutraceutical molecule bound to its target protein.
 2329 
There are 2329 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: O60512 (B4GT3_HUMAN)  -  Beta-1,4-galactosyltransferase 3
UniProt id: O60512    393 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: O60513 (B4GT4_HUMAN)  -  Beta-1,4-galactosyltransferase 4
UniProt id: O60513    344 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: O60909 (B4GT2_HUMAN)  -  Beta-1,4-galactosyltransferase 2
UniProt id: O60909    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 4:   UniProt id: Q9UJ70 (NAGK_HUMAN)  -  N-acetylglucosamine kinase
UniProt id: Q9UJ70    344 a.a.  
2ch5 A,B,C,D   344 a.a. 341   X-ray 1.90 Å
The PDB contains 1 entry of n-acetyl-d-glucosamine bound to this target protein and 2 entries of this target protein in all (click on orange, plus icon for list).
DrugBank nutraceutical Target 5:   UniProt id: Q9UK23 (NAGPA_HUMAN)  -  N-acetylglucosamine-1-phosphodiester alpha-N-acetylglucosaminidase
UniProt id: Q9UK23    515 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 6:   UniProt id: P54802 (ANAG_HUMAN)  -  Alpha-N-acetylglucosaminidase
UniProt id: P54802    743 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 7:   UniProt id: P51606 (RENBP_HUMAN)  -  N-acylglucosamine 2-epimerase
UniProt id: P51606    427 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 8:   UniProt id: P15291 (B4GT1_HUMAN)  -  Beta-1,4-galactosyltransferase 1
UniProt id: P15291    397 a.a.  
1. 2agd A,B,C   273 a.a. 270   X-ray 1.90 Å
  2. 4ee4 A,B,C   273 a.a. 270   X-ray 1.95 Å
  3. 4eea A,B,C   273 a.a. 270   X-ray 2.00 Å
  4. 3ee5 A,B,C   273 a.a. 270   X-ray 2.20 Å
  5. 4ee5 A,B,C   273 a.a. 270   X-ray 2.20 Å
   more ...
The PDB contains 12 entries of n-acetyl-d-glucosamine bound to this target protein and 16 entries of this target protein in all (click on orange, plus icon for 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 n-acetyl-d-glucosamine bound in the PDB

There are 806 "non-target" proteins in the PDB containing the n-acetyl-d-glucosamine molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the nutraceutical targets listed above. Only 10 of the 806 proteins are listed below.

Protein 1:   UniProt id: A0A5B9 ()  -  T-cell receptor beta-2 chain C region OS=Homo sapiens GN=TRBC2 PE=1 SV=1
UniProt id: A0A5B9    178 a.a.  
4onh B   233 a.a. 118   X-ray 3.01 Å
The PDB contains 1 entry of n-acetyl-d-glucosamine bound to this protein
Protein 2:   UniProt id: A0FFQ6 ()  -  Hemagglutinin (Fragment) OS=Influenza A virus (A/goose/Guiyang/337/2006(H5N1)) GN=HA PE=1 SV=1
UniProt id: A0FFQ6    555 a.a.  
4jum A   321 a.a. 320   X-ray 2.00 Å
The PDB contains 1 entry of n-acetyl-d-glucosamine bound to this protein
Protein 3:   UniProt id: A0JLX4 ()  -  Carcinoembryonic antigen-related cell adhesion molecule 15 OS=Mus musculus GN=Ceacam15 PE=1 SV=1
UniProt id: A0JLX4    228 a.a.  
4jgj A,B   105 a.a. 105   X-ray 2.65 Å
The PDB contains 1 entry of n-acetyl-d-glucosamine bound to this protein
Protein 4:   UniProt id: A1ILL9 ()  -  Neuraminidase OS=Influenza A virus (strain A/Duck/Alberta/60/1976 H12N5) GN=NA PE=1 SV=1
UniProt id: A1ILL9    472 a.a.  
1. 3san A,B   394 a.a. 394   X-ray 1.60 Å
  2. 3ti8 A,B   394 a.a. 394   X-ray 1.60 Å
The PDB contains 2 entries of n-acetyl-d-glucosamine bound to this protein
Protein 5:   UniProt id: A1L565 ()  -  CD1D antigen, d polypeptide (Fragment) OS=Bos taurus GN=CD1D PE=1 SV=1
UniProt id: A1L565    444 a.a.  
4f7e A   271 a.a. 270   X-ray 2.40 Å
The PDB contains 1 entry of n-acetyl-d-glucosamine bound to this protein
Protein 6:   UniProt id: A2QKT4 ()  -  Probable mannan endo-1,4-beta-mannosidase A OS=Aspergillus niger (strain CBS 513.88 / FGSC A1513) GN=manA PE=3 SV=1
UniProt id: A2QKT4    382 a.a.  
3wh9 A,B   345 a.a. 343   X-ray 1.57 Å
The PDB contains 1 entry of n-acetyl-d-glucosamine bound to this protein
Protein 7:   UniProt id: A2TBB4 ()  -  Phytase OS=Schwanniomyces capriottii GN=phyt PE=1 SV=1
UniProt id: A2TBB4    460 a.a.  
2gfi A,B   458 a.a. 458   X-ray 2.29 Å
The PDB contains 1 entry of n-acetyl-d-glucosamine bound to this protein
Protein 8:   UniProt id: A2TM14 ()  -  Beta-1,3-glucanase OS=Hevea brasiliensis PE=1 SV=1
UniProt id: A2TM14    373 a.a.  
3em5 A,B,C,D   315 a.a. 314   X-ray 2.50 Å
The PDB contains 1 entry of n-acetyl-d-glucosamine bound to this protein
Protein 9:   UniProt id: A3DQM7 ()  -  Hemagglutinin OS=Influenza B virus (B/Yamanashi/166/1998) GN=HA PE=1 SV=1
UniProt id: A3DQM7    583 a.a.  
1. 4m44 A,C,E   343 a.a. 343   X-ray 2.50 Å
  2. 4m40 A,C,E   343 a.a. 343   X-ray 3.54 Å
The PDB contains 2 entries of n-acetyl-d-glucosamine bound to this protein
Protein 10:   UniProt id: A3F9D6 ()  -  Lactoperoxidase OS=Capra hircus GN=LPO PE=1 SV=1
UniProt id: A3F9D6    711 a.a.  
1. 4qyq A,B,C,D   595 a.a. 595   X-ray 2.50 Å
  2. 4n7a A   594 a.a. 593   X-ray 1.79 Å
  3. 4ljj A   594 a.a. 593   X-ray 1.98 Å
  4. 4msf A   594 a.a. 593   X-ray 1.98 Å
  5. 3r55 A   594 a.a. 593   X-ray 2.10 Å
 
The PDB contains 11 entries of n-acetyl-d-glucosamine 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.

 

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