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DB00936 : salicyclic acid

Approved drug salicyclic acid ... 3 targets DB00936

Generic name: salicyclic acid PDB Het Group: SAL
 
39 structures in PDB
Brand name(s): advanced pain relief callus removers, advanced pain relief corn removers, clear away wart remover, compound w, dr. scholl's callus removers, dr. scholl's corn removers, dr. scholl's wart remover kit, duofil wart remover, duoplant, freezone, ionil, keralyt, kyselina 2-hydroxybenzoova, kyselina salicylova, psoriacid-s-stift, retarder sax, retarder w, rutranex, sax, salicylic acid collodion, salicylic acid soap, saligel, salonil, stri-dex.
Formula: C7H6O3
IUPAC Formula: 2-Hydroxybenzoic acid
PDB name: 2-Hydroxybenzoic acid

3
There are 3 target proteins defined in DrugBank for this drug.
 2 
2 of these target proteins have one or more structures in the PDB.
 34 
There are 34 PDB structures containing the drug molecule bound to a protein that is not specified as a target.
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Target proteins

DrugBank drug Target 1:   UniProt id: P23219 (PGH1_HUMAN)  -  Prostaglandin G/H synthase 1
UniProt id: P23219    599 a.a.  
 
There are no structures of the target protein in the PDB (click icon on left for list of closest matches)
DrugBank drug Target 2:   UniProt id: P35354 (PGH2_HUMAN)  -  Prostaglandin G/H synthase 2
UniProt id: P35354    603 a.a.  
1v0x A     604 a.a. 603   Theor. model
There are no PDB entries containing salicyclic acid bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).
DrugBank drug Target 3:   UniProt id: Q04828 (AK1C1_HUMAN)  -  Aldo-keto reductase family 1 member C1
UniProt id: Q04828    322 a.a.  
1. 1mrq A     323 a.a. 322   X-ray 1.59 Å
  2. 3c3u A     320 a.a. 320   X-ray 1.80 Å
  3. 3nty A     318 a.a. 318   X-ray 1.87 Å
  4. 3gug A     318 a.a. 317   X-ray 1.90 Å
There are no PDB entries containing salicyclic acid bound to this target protein, although there are 4 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 salicyclic acid bound in the PDB

There are 20 "non-target" proteins in the PDB containing the salicyclic acid molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the drug targets listed above. Only 10 of the 20 proteins are listed below.

Protein 1:   UniProt id: O26413 ()  -  Transcriptional regulator OS=Methanothermobacter thermautotrophicus (strain ATCC 29096 / DSM 1053 / JCM 10044 / NBRC 100330 / Delta H) GN=MTH_313 PE=1 SV=1
UniProt id: O26413    146 a.a.  
3bpx A   147 a.a. 145   X-ray 1.95 Å
The PDB contains 1 entry of salicyclic acid bound to this protein
Protein 2:   UniProt id: P05979 ()  -  Prostaglandin G/H synthase 1 OS=Ovis aries GN=PTGS1 PE=1 SV=2
UniProt id: P05979    599 a.a.  
1pth A,B   550 a.a. 548   X-ray 3.40 Å
The PDB contains 1 entry of salicyclic acid bound to this protein
Protein 3:   UniProt id: P22830 ()  -  Ferrochelatase, mitochondrial OS=Homo sapiens GN=FECH PE=1 SV=2
UniProt id: P22830    422 a.a.  
3w1w A,B   359 a.a. 358   X-ray 2.01 Å
The PDB contains 1 entry of salicyclic acid bound to this protein
Protein 4:   UniProt id: P22985 ()  -  Xanthine dehydrogenase/oxidase OS=Rattus norvegicus GN=Xdh PE=1 SV=3
UniProt id: P22985    1330 a.a.  
1wyg A   1297 a.a. 1294   X-ray 2.60 Å
The PDB contains 1 entry of salicyclic acid bound to this protein
Protein 5:   UniProt id: P27245 ()  -  Multiple antibiotic resistance protein MarR OS=Escherichia coli (strain K12) GN=marR PE=1 SV=2
UniProt id: P27245    143 a.a.  
1jgs A   138 a.a. 138   X-ray 2.30 Å
The PDB contains 1 entry of salicyclic acid bound to this protein
Protein 6:   UniProt id: P40676 ()  -  Transcriptional regulator SlyA OS=Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) GN=slyA PE=1 SV=3
UniProt id: P40676    143 a.a.  
3deu A,B   132 a.a. 129   X-ray 2.30 Å
The PDB contains 1 entry of salicyclic acid bound to this protein
Protein 7:   UniProt id: P80457 ()  -  Xanthine dehydrogenase/oxidase OS=Bos taurus GN=XDH PE=1 SV=4
UniProt id: P80457    1331 a.a.  
1. 1fo4 A,B   1299 a.a. 1298   X-ray 2.10 Å
  2. 3uni A,B   1289 a.a. 1289   X-ray 2.20 Å
  3. 3unc A,B   1286 a.a. 1286   X-ray 1.65 Å
  4. 3una A,B   1286 a.a. 1286   X-ray 1.90 Å
  5. 3ax9 A,B   1225 a.a. 1225   X-ray 2.30 Å
 
The PDB contains 7 entries of salicyclic acid bound to this protein
Protein 8:   UniProt id: P9WFX5 ()  -  Anthranilate phosphoribosyltransferase OS=Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) GN=trpD PE=1 SV=1
  No Pfam domain assignments available for this protein.
3twp A,B,C,D   346 a.a. 346   X-ray 1.83 Å
The PDB contains 1 entry of salicyclic acid bound to this protein
Protein 9:   UniProt id: Q1LCS4 ()  -  3-hydroxyanthranilate 3,4-dioxygenase OS=Ralstonia metallidurans (strain CH34 / ATCC 43123 / DSM 2839) GN=nbaC PE=1 SV=1
UniProt id: Q1LCS4    173 a.a.  
4hvr A   174 a.a. 173   X-ray 2.70 Å
The PDB contains 1 entry of salicyclic acid bound to this protein
Protein 10:   UniProt id: Q51507 ()  -  Salicylate biosynthesis protein PchB OS=Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) GN=pchB PE=1 SV=2
UniProt id: Q51507    100 a.a.  
1. 3rem A,B   97 a.a. 97   X-ray 1.95 Å
  2. 3hgx A,B   99 a.a. 97   X-ray 2.50 Å
  3. 3ret A   97 a.a. 95   X-ray 1.79 Å
The PDB contains 3 entries of salicyclic acid bound to this protein

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.

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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