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DB00173 : adenine

Approved nutraceutical adenine ... 12 targets DB00173

Generic name: adenine PDB Het Group: ADE
 
96 structures in PDB
Brand name(s): leuco-4, pedatisectine b.
Formula: C5H5N5
IUPAC Formula: 7h-Purin-6-Amine
PDB name: Adenine

12
There are 12 target proteins defined in DrugBank for this nutraceutical.
 11 
11 of these target proteins have one or more structures in the PDB.
 10 
There are 10 PDB structures of the nutraceutical molecule bound to its target protein.
 72 
There are 72 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:   Bacterial outer membrane
  No Pfam domain assignments available for this protein.
 
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: Q13126 (MTAP_HUMAN)  -  S-methyl-5-thioadenosine phosphorylase
UniProt id: Q13126    282 a.a.  
1cb0 A   268 a.a. 268   X-ray 1.70 Å
The PDB contains 1 entry of adenine bound to this target protein and 9 entries of this target protein in all (click on orange, plus icon for list).
DrugBank nutraceutical Target 3:   UniProt id: Q05603 (COBT_SALTY)  -  Nicotinate-nucleotide--dimethylbenzimidazole phosphoribosyltransferase
UniProt id: Q05603    355 a.a.  
1. 1jh8 A   348 a.a. 347   X-ray 1.80 Å
  2. 4kqf A   346 a.a. 345   X-ray 1.90 Å
The PDB contains 2 entries of adenine bound to this target protein and 34 entries of this target protein in all (click on orange, plus icon for list).
DrugBank nutraceutical Target 4:   UniProt id: P07741 (APT_HUMAN)  -  Adenine phosphoribosyltransferase
UniProt id: P07741    179 a.a.  
1zn7 A,B   178 a.a. 178   X-ray 1.83 Å
The PDB contains 1 entry of adenine bound to this target protein and 5 entries of this target protein in all (click on orange, plus icon for list).
DrugBank nutraceutical Target 5:   UniProt id: P0AF12 (MTNN_ECOLI)  -  MTA/SAH nucleosidase
UniProt id: P0AF12    231 a.a.  
1. 1z5n A,B   234 a.a. 230   X-ray 2.10 Å
  2. 1jys A,B   226 a.a. 225   X-ray 1.90 Å
The PDB contains 2 entries of adenine bound to this target protein and 9 entries of this target protein in all (click on orange, plus icon for list).
DrugBank nutraceutical Target 6:   UniProt id: O00763 (ACACB_HUMAN)  -  Acetyl-CoA carboxylase 2
UniProt id: O00763    2457 a.a.  
1. 3ff6 A,B,C,D     750 a.a. 749   X-ray 3.19 Å
  2. 3tdc A     720 a.a. 719   X-ray 2.41 Å
  3. 3jrx A     496 a.a. 496   X-ray 2.50 Å
  4. 2hjw A     494 a.a. 494   X-ray 2.50 Å
  5. 3jrw A     498 a.a. 494   X-ray 2.60 Å
   more ...
There are no PDB entries containing adenine bound to this target protein, although there are 10 entries of the target protein (click the orange, plus icon for a list).
DrugBank nutraceutical Target 7:   UniProt id: P24666 (PPAC_HUMAN)  -  Low molecular weight phosphotyrosine protein phosphatase
UniProt id: P24666    157 a.a.  
1. 5pnt A     157 a.a. 157   X-ray 2.20 Å
  2. 3n8i A     154 a.a. 154   X-ray 1.50 Å
  3. 1xww A     157 a.a. 137   X-ray 1.63 Å
There are no PDB entries containing adenine bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).
DrugBank nutraceutical Target 8:   UniProt id: Q9BY49 (PECR_HUMAN)  -  Peroxisomal trans-2-enoyl-CoA reductase
UniProt id: Q9BY49    302 a.a.  
1yxm A,B,D     297 a.a. 297   X-ray 1.90 Å
There are no PDB entries containing adenine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank nutraceutical Target 9:   UniProt id: P17802 (MUTY_ECOLI)  -  A/G-specific adenine glycosylase
UniProt id: P17802    349 a.a.  
1. 1mud A   225 a.a. 223   X-ray 1.80 Å
  2. 1wei A   220 a.a. 218   X-ray 1.45 Å
The PDB contains 2 entries of adenine bound to this target protein and 13 entries of this target protein in all (click on orange, plus icon for list).
DrugBank nutraceutical Target 10:   UniProt id: Q8RLY5 (Q8RLY5_LACHE)  -  Purine trans deoxyribosylase
UniProt id: Q8RLY5    166 a.a.  
1s2d A,B,C   164 a.a. 162   X-ray 2.10 Å
The PDB contains 1 entry of adenine bound to this target protein and 5 entries of this target protein in all (click on orange, plus icon for list).
DrugBank nutraceutical Target 11:   UniProt id: P78362 (SRPK2_HUMAN)  -  Serine/threonine-protein kinase SRPK2
UniProt id: P78362    687 a.a.  
2x7g A     344 a.a. 344   X-ray 2.50 Å
There are no PDB entries containing adenine bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank nutraceutical Target 12:   UniProt id: Q5SL87 (RUVB_THET8)  -  Holliday junction ATP-dependent DNA helicase ruvB
UniProt id: Q5SL87    323 a.a.  
1hqc A,B   314 a.a. 313   X-ray 3.20 Å
The PDB contains 1 entry of adenine bound to this target protein and 3 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 adenine bound in the PDB

There are 56 "non-target" proteins in the PDB containing the adenine 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 56 proteins are listed below.

Protein 1:   UniProt id: A1R3U3 ()  -  Adenine deaminase OS=Arthrobacter aurescens (strain TC1) GN=add PE=1 SV=1
UniProt id: A1R3U3    342 a.a.  
3rys A,B   335 a.a. 335   X-ray 2.60 Å
The PDB contains 1 entry of adenine bound to this protein
Protein 2:   UniProt id: A6T4W3 ()  -  5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase OS=Klebsiella pneumoniae subsp. pneumoniae (strain ATCC 700721 / MGH 78578) GN=mtnN PE=1 SV=1
UniProt id: A6T4W3    232 a.a.  
4g89 A,B   233 a.a. 232   X-ray 2.10 Å
The PDB contains 1 entry of adenine bound to this protein
Protein 3:   UniProt id: B0TZL4 ()  -  Adenosylhomocysteine nucleosidase OS=Francisella philomiragia subsp. philomiragia (strain ATCC 25017) GN=Fphi_0356 PE=1 SV=1
UniProt id: B0TZL4    228 a.a.  
4jos A,B   228 a.a. 227   X-ray 1.45 Å
The PDB contains 1 entry of adenine bound to this protein
Protein 4:   UniProt id: B2RKN6 ()  -  Purine nucleoside phosphorylase OS=Porphyromonas gingivalis (strain ATCC 33277 / DSM 20709 / JCM 12257) GN=PGN_1412 PE=1 SV=1
UniProt id: B2RKN6    272 a.a.  
4nsn A,B,C   272 a.a. 270   X-ray 1.60 Å
The PDB contains 1 entry of adenine bound to this protein
Protein 5:   UniProt id: B3EWQ9 ()  -  Lectin alpha chain OS=Lablab purpureus PE=1 SV=1
  No Pfam domain assignments available for this protein.
3ujo A,B,C,D   253 a.a. 248   X-ray 2.00 Å
The PDB contains 1 entry of adenine bound to this protein
Protein 6:   UniProt id: D2QIK7 ()  -  Purine nucleoside phosphorylase OS=Spirosoma linguale (strain ATCC 33905 / DSM 74 / LMG 10896) GN=Slin_3943 PE=1 SV=1
UniProt id: D2QIK7    271 a.a.  
4lna A   269 a.a. 268   X-ray 2.10 Å
The PDB contains 1 entry of adenine bound to this protein
Protein 7:   UniProt id: D5SMY7 ()  -  Purine nucleoside phosphorylase OS=Planctomyces limnophilus (strain ATCC 43296 / DSM 3776 / IFAM 1008 / 290) GN=Plim_2216 PE=1 SV=1
UniProt id: D5SMY7    274 a.a.  
4m1e A,B,C,E,...   272 a.a. 272   X-ray 1.90 Å
The PDB contains 1 entry of adenine bound to this protein
Protein 8:   UniProt id: D9J2T9 ()  -  Ribosome inactivating protein (Fragment) OS=Momordica balsamina GN=RIP PE=1 SV=1
UniProt id: D9J2T9    245 a.a.  
1. 3u6z A   246 a.a. 245   X-ray 1.70 Å
  2. 3rl9 A   246 a.a. 245   X-ray 1.90 Å
  3. 3u70 A   246 a.a. 245   X-ray 2.00 Å
  4. 3v2k A   246 a.a. 245   X-ray 2.07 Å
The PDB contains 4 entries of adenine bound to this protein
Protein 9:   UniProt id: I0B503 ()  -  S-methyl-5'-thioadenosine phosphorylase OS=Schistosoma mansoni PE=1 SV=1
UniProt id: I0B503    298 a.a.  
1. 4l5c A,B,C,D,...   289 a.a. 289   X-ray 2.08 Å
  2. 4l6i A,B,C,D,...   289 a.a. 289   X-ray 2.10 Å
The PDB contains 2 entries of adenine bound to this protein
Protein 10:   UniProt id: O34925 ()  -  Purine nucleoside phosphorylase DeoD-type OS=Bacillus subtilis (strain 168) GN=deoD PE=1 SV=1
UniProt id: O34925    232 a.a.  
1. 4d8v A,B   231 a.a. 230   X-ray 2.35 Å
  2. 4dao A,B   230 a.a. 229   X-ray 2.22 Å
The PDB contains 2 entries of adenine 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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