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DB00607 : nafcillin

Approved drug nafcillin ... 5 targets DB00607

Generic name: nafcillin PDB Het Group: NFN
 
1 structure in PDB
Brand name(s): nafcilin-1, nafcillin sodium for injection, nallpen, nallpen in plastic container, naphcillin, unipen.
Formula: C21H22N2O5S
IUPAC Formula: (2s,5r,6r)-6-(2-Ethoxynaphthalene-1-Amido)-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]heptane-2-
Carboxylic acid
PDB name: 6-[[(2-Ethoxy-1-Naphthalenyl)carbonyl]amino]-3,3-Dimethyl-7-Oxo-4-Thia-1-Azabicyclo[3.2.0]heptane-2-
Carboxylate

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.
 1 
There is 1 PDB structure 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 nafcillin 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: 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 nafcillin 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: Q8DNB6 (Q8DNB6_STRR6)  -  Penicillin-binding protein 2a
UniProt id: Q8DNB6    731 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: Q75Y35 (Q75Y35_STREE)  -  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 5:   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 nafcillin bound to this target protein, although there are 2 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 nafcillin bound in the PDB

There is 1 "non-target" protein in the PDB containing the nafcillin molecule bound. That is, the UniProt code for the protein is missing or does not match any of the drug targets listed above.

Protein 1:   UniProt id: P31224 ()  -  Multidrug efflux pump subunit AcrB OS=Escherichia coli (strain K12) GN=acrB PE=1 SV=1
UniProt id: P31224    1048 a.a.  
1t9w A   1016 a.a. 1015   X-ray 3.23 Å
The PDB contains 1 entry of nafcillin 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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