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DB00303 : ertapenem

Approved drug ertapenem ... 8 targets DB00303

Generic name: ertapenem PDB Het Group: 1RG
 
4 structures in PDB
Brand name(s): invanz.
Formula: C22H25N3O7S
IUPAC Formula: (4r,5s,6s)-3-{[(3s,5s)-5-[(3-Carboxyphenyl)carbamoyl]pyrrolidin-3-Yl]sulfanyl}-6-[(1r)-1-
Hydroxyethyl]-4-Methyl-7-Oxo-1-Azabicyclo[3.2.0]hept-2-Ene-2-Carboxylic acid
PDB name: (4r,5s)-3-({(3s,5s)-5-[(3-Carboxyphenyl)carbamoyl]pyrrolidin-3-Yl}sulfanyl)-5-[(1s,2r)-1-Formyl-2-
Hydroxypropyl]-4-Methyl-4,5-Dihydro-1h-Pyrrole-2-Carboxylic acid

8
There are 8 target proteins defined in DrugBank for this drug.
 3 
3 of these target proteins have one or more structures in the PDB.
 4 
There are 4 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: P44469 (PBP2_HAEIN)  -  Penicillin-binding protein 2
UniProt id: P44469    651 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: P0AD65 (PBP2_ECOLI)  -  Penicillin-binding protein 2
UniProt id: P0AD65    633 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 3:   UniProt id: P45059 (FTSI_HAEIN)  -  Peptidoglycan synthetase ftsI
UniProt id: P45059    610 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 4:   UniProt id: P0AD68 (FTSI_ECOLI)  -  Peptidoglycan synthetase ftsI
UniProt id: P0AD68    588 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 5:   UniProt id: P24228 (DACB_ECOLI)  -  Penicillin-binding protein 4
UniProt id: P24228    476 a.a.  
1. 2ex2 A     456 a.a. 455   X-ray 1.55 Å
  2. 2ex8 A     456 a.a. 455   X-ray 1.60 Å
  3. 2ex6 A     450 a.a. 449   X-ray 1.60 Å
  4. 2exb A     446 a.a. 445   X-ray 1.75 Å
  5. 2exa A     443 a.a. 442   X-ray 1.70 Å
There are no PDB entries containing ertapenem bound to this target protein, although there are 6 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 6:   UniProt id: P02918 (PBPA_ECOLI)  -  Penicillin-binding protein 1A
UniProt id: P02918    850 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 7:   UniProt id: P02919 (PBPB_ECOLI)  -  Penicillin-binding protein 1B
UniProt id: P02919    843 a.a.  
1. 3vma A     708 a.a. 708   X-ray 2.16 Å
  2. 3fwl A     707 a.a. 707   X-ray 3.09 Å
  3. 3fwm A     666 a.a. 666   X-ray 2.16 Å
There are no PDB entries containing ertapenem bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 8:   UniProt id: P08506 (DACC_ECOLI)  -  D-alanyl-D-alanine carboxypeptidase dacC
UniProt id: P08506    399 a.a.  
1. 3ita A,B     348 a.a. 348   X-ray 1.80 Å
  2. 3it9 A,B,C,D     348 a.a. 348   X-ray 2.10 Å
  3. 3itb A,B,C,D     345 a.a. 345   X-ray 1.80 Å
There are no PDB entries containing ertapenem bound to this target protein, although there are 3 entries of the target protein (click the orange, plus icon for a list).

Key:    PfamA domain  PfamB domain  Secondary structure  Bound drug molecule

 

Other proteins with ertapenem bound in the PDB

There are 4 "non-target" proteins in the PDB containing the ertapenem 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: P02931 ()  -  Outer membrane protein F OS=Escherichia coli (strain K12) GN=ompF PE=1 SV=1
UniProt id: P02931    361 a.a.  
4gcs A,B   333 a.a. 333   X-ray 1.87 Å
The PDB contains 1 entry of ertapenem bound to this protein
Protein 2:   UniProt id: P9WKD3 ()  -  Beta-lactamase OS=Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) GN=blaC PE=1 SV=1
  No Pfam domain assignments available for this protein.
3m6b A   265 a.a. 265   X-ray 1.30 Å
The PDB contains 1 entry of ertapenem bound to this protein
Protein 3:   UniProt id: Q3Y185 ()  -  ErfK/YbiS/YcfS/YnhG OS=Enterococcus faecium DO GN=EfaeDRAFT_1610 PE=1 SV=1
UniProt id: Q3Y185    465 a.a.  
3zgp A   129 a.a. 126   NMR  
The PDB contains 1 entry of ertapenem bound to this protein
Protein 4:   UniProt id: Q93F76 ()  -  Beta-lactamase OS=Pseudomonas aeruginosa GN=bla GES-2 PE=1 SV=1
UniProt id: Q93F76    286 a.a.  
4qu3 A,B   268 a.a. 268   X-ray 1.40 Å
The PDB contains 1 entry of ertapenem 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.

 

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