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DB00158 : folic acid

Approved nutraceutical folic acid ... 2 targets DB00158

Generic name: folic acid PDB Het Group: FOL
 
55 structures in PDB
Brand name(s): acifolic, apo-folic, cytofol, dosfolat b activ, folacid, folacin, folbal, folcidin, foldine, folettes, foliamin, folicet, folipac, folsan, folsaure, folsav, folvite, folvron, incafolic, millafol.
Formula: C19H19N7O6
IUPAC Formula: (2s)-2-[(4-{[(2-Amino-4-Oxo-1,4-Dihydropteridin-6-Yl)methyl]amino}phenyl)formamido]pentanedioic acid
PDB name: Folic acid

2
There are 2 target proteins defined in DrugBank for this nutraceutical.
 1 
1 of these target proteins has one or more structures in the PDB.
 1 
There is 1 PDB structure of the nutraceutical molecule bound to its target protein.
 52 
There are 52 PDB structures containing the nutraceutical molecule bound to a protein that is not specified as a target.
Links  
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Information  
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Target proteins

DrugBank nutraceutical Target 1:   UniProt id: P14207 (FOLR2_HUMAN)  -  Folate receptor beta
UniProt id: P14207    254 a.a.  
4kmz A   203 a.a. 203   X-ray 2.30 Å
The PDB contains 1 entry of folic acid bound to this target protein and 5 entries of this target protein in all (click on orange, plus icon for list).
DrugBank nutraceutical Target 2:   UniProt id: P41439 (FOLR3_HUMAN)  -  Folate receptor gamma
UniProt id: P41439    243 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  Secondary structure  Bound drug molecule

 

Other proteins with folic acid bound in the PDB

There are 16 "non-target" proteins in the PDB containing the folic acid 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 16 proteins are listed below.

Protein 1:   UniProt id: B1XC49 ()  -  Dihydrofolate reductase OS=Escherichia coli (strain K12 / DH10B) GN=folA PE=1 SV=1
UniProt id: B1XC49    158 a.a.  
1. 4p3r A   159 a.a. 158   X-ray 1.15 Å
  2. 4p3q A   159 a.a. 158   X-ray 1.35 Å
  3. 4pth A   158 a.a. 156   X-ray
  4. 4ptj A   158 a.a. 156   X-ray 1.05 Å
The PDB contains 4 entries of folic acid bound to this protein
Protein 2:   UniProt id: O76290 ()  -  Pteridine reductase OS=Trypanosoma brucei brucei GN=PTR1 PE=1 SV=1
UniProt id: O76290    267 a.a.  
3bmc A,B,C,D   248 a.a. 247   X-ray 2.60 Å
The PDB contains 1 entry of folic acid bound to this protein
Protein 3:   UniProt id: P00374 ()  -  Dihydrofolate reductase OS=Homo sapiens GN=DHFR PE=1 SV=2
UniProt id: P00374    186 a.a.  
1. 4m6k A   186 a.a. 186   X-ray 1.40 Å
  2. 2w3m A,B   186 a.a. 186   X-ray 1.60 Å
  3. 1drf A   186 a.a. 186   X-ray 2.00 Å
  4. 2w3b A,B   185 a.a. 185   X-ray 1.27 Å
  5. 1dhf A,B   182 a.a. 182   X-ray 2.30 Å
The PDB contains 5 entries of folic acid bound to this protein
Protein 4:   UniProt id: P00383 ()  -  Dihydrofolate reductase type 2 OS=Escherichia coli PE=1 SV=1
UniProt id: P00383    77 a.a.  
1vif A   60 a.a. 60   X-ray 1.80 Å
The PDB contains 1 entry of folic acid bound to this protein
Protein 5:   UniProt id: P0ABQ4 ()  -  Dihydrofolate reductase OS=Escherichia coli (strain K12) GN=folA PE=1 SV=1
UniProt id: P0ABQ4    158 a.a.  
1. 4kjj A   159 a.a. 158   X-ray 1.15 Å
  2. 4nx7 A   159 a.a. 158   X-ray 1.15 Å
  3. 4kjk A   159 a.a. 158   X-ray 1.35 Å
  4. 4nx6 A   159 a.a. 158   X-ray 1.35 Å
  5. 4i13 A   159 a.a. 158   X-ray 1.60 Å
 
The PDB contains 21 entries of folic acid bound to this protein
Protein 6:   UniProt id: P15328 ()  -  Folate receptor alpha OS=Homo sapiens GN=FOLR1 PE=1 SV=3
UniProt id: P15328    256 a.a.  
1. 4keo A,B,C,D,...   207 a.a. 206   X-ray 2.80 Å
  2. 4lrh A,B,C,D,...   207 a.a. 206   X-ray 2.80 Å
The PDB contains 2 entries of folic acid bound to this protein
Protein 7:   UniProt id: P16184 ()  -  Dihydrofolate reductase OS=Pneumocystis carinii PE=1 SV=1
UniProt id: P16184    205 a.a.  
1. 2cd2 A   206 a.a. 205   X-ray 1.90 Å
  2. 1cd2 A   206 a.a. 205   X-ray 2.20 Å
The PDB contains 2 entries of folic acid bound to this protein
Protein 8:   UniProt id: P21164 ()  -  Formate--tetrahydrofolate ligase OS=Moorella thermoacetica GN=fhs PE=1 SV=1
UniProt id: P21164    558 a.a.  
3qb6 A,B   551 a.a. 551   X-ray 3.00 Å
The PDB contains 1 entry of folic acid bound to this protein
Protein 9:   UniProt id: Q07422 ()  -  Bifunctional dihydrofolate reductase-thymidylate synthase OS=Toxoplasma gondii PE=1 SV=1
UniProt id: Q07422    609 a.a.  
1. 4eil A,B,C,D,...   510 a.a. 510   X-ray 2.20 Å
  2. 4kya A,B,C,D,...   510 a.a. 510   X-ray 3.26 Å
  3. 4eck A,B   498 a.a. 497   X-ray 3.52 Å
The PDB contains 3 entries of folic acid bound to this protein
Protein 10:   UniProt id: Q1RGF0 ()  -  Dihydrofolate reductase OS=Escherichia coli (strain UTI89 / UPEC) GN=folA PE=1 SV=1
UniProt id: Q1RGF0    203 a.a.  
3ql0 A   160 a.a. 157   X-ray 1.60 Å
The PDB contains 1 entry of folic 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.

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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