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DB00493 : cefotaxime

Approved drug cefotaxime ... 5 targets DB00493

Generic name: cefotaxime PDB Het Group: CE3
 
3 structures in PDB
Brand name(s): claforan.
Formula: C16H17N5O7S2
IUPAC Formula: (6r,7r)-3-[(Acetyloxy)methyl]-7-[(2z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-(Methoxyimino)acetamido]-8-Oxo-
5-Thia-1-Azabicyclo[4.2.0]oct-2-Ene-2-Carboxylic acid
PDB name: (6r,7r)-3-(Acetyloxymethyl)-7-[[(2z)-2-(2-Amino-1,3-Thiazol-4-Yl)-2-Methoxyimino-Ethanoyl]amino]-8-
Oxo-5-Thia-1-Azabicyclo[4.2.0]oct-2-Ene-2-Carboxylic acid

5
There are 5 target proteins defined in DrugBank for this drug.
 3 
3 of these target proteins have one or more structures in the PDB.
 3 
There are 3 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: Q7CRA4 (Q7CRA4_STRR6)  -  Penicillin-binding protein 1b
UniProt id: Q7CRA4    820 a.a.  
1. 2y2m A     471 a.a. 457   X-ray 1.62 Å
  2. 2y2o A     471 a.a. 457   X-ray 1.88 Å
  3. 2y2j A     470 a.a. 456   X-ray 2.06 Å
  4. 2xd5 A,B     469 a.a. 456   X-ray 2.50 Å
  5. 2y2k A     469 a.a. 455   X-ray 2.09 Å
   more ...
There are no PDB entries containing cefotaxime bound to this target protein, although there are 15 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: Q8DNB6 (Q8DNB6_STRR6)  -  Penicillin-binding protein 2a
  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 drug Target 3:   UniProt id: P42971 (PBPC_BACSU)  -  Penicillin-binding protein 3
  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 drug Target 4:   UniProt id: Q8DR59 (PBPA_STRR6)  -  Penicillin-binding protein 1A
UniProt id: Q8DR59    718 a.a.  
1. 2c5w A     16 a.a. 16   X-ray 2.55 Å
  2. 2c6w A     16 a.a. 16   X-ray 2.61 Å
There are no PDB entries containing cefotaxime bound to this target protein, although there are 2 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 5:   UniProt id: P0A3M6 (PBP2_STRR6)  -  Penicillin-binding protein 2B
UniProt id: P0A3M6    679 a.a.  
2waf A     619 a.a. 617   X-ray 3.29 Å
There are no PDB entries containing cefotaxime bound to this target protein, although there is 1 entry of the target protein in the PDB (see above).

Key:    PfamA domain  Secondary structure  Bound drug molecule

 

Other proteins with cefotaxime bound in the PDB

There are 3 "non-target" proteins in the PDB containing the cefotaxime 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: Q16775 ()  -  Hydroxyacylglutathione hydrolase, mitochondrial OS=Homo sapiens GN=HAGH PE=1 SV=2
UniProt id: Q16775    307 a.a.  
2f50 A   195 a.a. 117   Theor. model
The PDB contains 1 entry of cefotaxime bound to this protein
Protein 2:   UniProt id: Q9HV14 ()  -  Uncharacterized protein OS=Pseudomonas aeruginosa (strain ATCC 15692 / PAO1 / 1C / PRS 101 / LMG 12228) GN=PA4794 PE=1 SV=1
UniProt id: Q9HV14    159 a.a.  
4kot A   159 a.a. 158   X-ray 1.55 Å
The PDB contains 1 entry of cefotaxime bound to this protein
Protein 3:   UniProt id: Q9L5C8 ()  -  Beta-lactamase OS=Escherichia coli GN=blaCTX-M-9a PE=1 SV=1
UniProt id: Q9L5C8    290 a.a.  
3hlw A,B   263 a.a. 262   X-ray 1.50 Å
The PDB contains 1 entry of cefotaxime 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.

 

Structure selection

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