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DB00551 : acetohydroxamic acid

Approved drug acetohydroxamic acid ... 2 targets DB00551

Generic name: acetohydroxamic acid PDB Het Group: HAE
 
20 structures in PDB
Brand name(s): lithostat.
Formula: C2H5No2
IUPAC Formula: N-Hydroxyacetamide
PDB name: Acetohydroxamic acid

2
There are 2 target proteins defined in DrugBank for this drug.
 2 
2 of these target proteins have one or more structures in the PDB.
 11 
There are 11 PDB structures of the drug molecule bound to its target protein.
 7 
There are 7 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: P18314 (URE1_ENTAE)  -  Urease alpha subunit
UniProt id: P18314    566 a.a.  
1fwe C   551 a.a. 550   X-ray 2.00 Å
The PDB contains 1 entry of acetohydroxamic acid bound to this target protein and 31 entries of this target protein in all (click on orange, plus icon for list).
DrugBank drug Target 2:   UniProt id: P39900 (MMP12_HUMAN)  -  Macrophage metalloelastase
UniProt id: P39900    469 a.a.  
1. 3ba0 A   365 a.a. 364   X-ray 3.00 Å
  2. 1os2 A,B,C,D,...   165 a.a. 162   X-ray 2.15 Å
  3. 1utt A   159 a.a. 159   X-ray 2.20 Å
  4. 1utz A,B   159 a.a. 159   X-ray 2.50 Å
  5. 1y93 A   158 a.a. 157   X-ray 1.03 Å
   more ...
The PDB contains 10 entries of acetohydroxamic acid bound to this target protein and 61 entries of this target protein in all (click on orange, plus icon for list).

Key:    PfamA 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 acetohydroxamic acid bound in the PDB

There are 5 "non-target" proteins in the PDB containing the acetohydroxamic acid molecule bound. That is, the UniProt code for the proteins is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: P07374 ()  -  Urease OS=Canavalia ensiformis PE=1 SV=3
UniProt id: P07374    839 a.a.  
4h9m A   828 a.a. 819   X-ray 1.52 Å
The PDB contains 1 entry of acetohydroxamic acid bound to this protein
Protein 2:   UniProt id: P22894 ()  -  Neutrophil collagenase OS=Homo sapiens GN=MMP8 PE=1 SV=1
UniProt id: P22894    466 a.a.  
3dpf A,B   163 a.a. 163   X-ray 2.10 Å
The PDB contains 1 entry of acetohydroxamic acid bound to this protein
Protein 3:   UniProt id: P41020 ()  -  Urease subunit alpha OS=Sporosarcina pasteurii GN=ureC PE=1 SV=1
UniProt id: P41020    568 a.a.  
4ubp C   569 a.a. 559   X-ray 1.55 Å
The PDB contains 1 entry of acetohydroxamic acid bound to this protein
Protein 4:   UniProt id: P45452 ()  -  Collagenase 3 OS=Homo sapiens GN=MMP13 PE=1 SV=1
UniProt id: P45452    470 a.a.  
1. 4a7b A,B   169 a.a. 169   X-ray 2.20 Å
  2. 2ow9 A,B   167 a.a. 167   X-ray 1.74 Å
  3. 3kec A,B   167 a.a. 167   X-ray 2.05 Å
The PDB contains 3 entries of acetohydroxamic acid bound to this protein
Protein 5:   UniProt id: P69996 ()  -  Urease subunit beta OS=Helicobacter pylori (strain ATCC 700392 / 26695) GN=ureB PE=1 SV=1
UniProt id: P69996    568 a.a.  
1e9y B   568 a.a. 562   X-ray 3.00 Å
The PDB contains 1 entry of acetohydroxamic 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.

 

Structure selection

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