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DB01034 : cerulenin

Approved drug cerulenin ... 4 targets DB01034

Generic name: cerulenin PDB Het Group: 1X9
 
1 structure in PDB
Brand name(s): helicocerin.
Formula: C12H17No3
IUPAC Formula: (2r,3s)-3-(Nona-4,7-Dienoyl)oxirane-2-Carboxamide
PDB name: Cerulenin

4
There are 4 target proteins defined in DrugBank for this drug.
 4 
4 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: P0A953 (FABB_ECOLI)  -  3-oxoacyl-[acyl-carrier-protein] synthase 1
UniProt id: P0A953    405 a.a.  
1. 2buh A,B,C,D     406 a.a. 405   X-ray 1.90 Å
  2. 2bui A,B,C,D     406 a.a. 405   X-ray 2.40 Å
  3. 2bz4 A,B,C,D     406 a.a. 404   X-ray 1.86 Å
  4. 2byz A,B,C,D     406 a.a. 404   X-ray 1.95 Å
  5. 1h4f A,B,C,D     406 a.a. 404   X-ray 2.00 Å
   more ...
There are no PDB entries containing cerulenin bound to this target protein, although there are 23 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 2:   UniProt id: P0AAI5 (FABF_ECOLI)  -  3-oxoacyl-[acyl-carrier-protein] synthase 2
UniProt id: P0AAI5    412 a.a.  
1. 1kas A     411 a.a. 411   X-ray 2.40 Å
  2. 2gfw A     411 a.a. 411   X-ray 2.40 Å
  3. 1b3n A     411 a.a. 411   X-ray 2.65 Å
  4. 3ho9 A     411 a.a. 410   X-ray 1.90 Å
  5. 3i8p A     411 a.a. 410   X-ray 1.90 Å
   more ...
There are no PDB entries containing cerulenin bound to this target protein, although there are 12 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 3:   UniProt id: P0A6R0 (FABH_ECOLI)  -  3-oxoacyl-[acyl-carrier-protein] synthase 3
UniProt id: P0A6R0    316 a.a.  
1. 1hnj A     317 a.a. 316   X-ray 1.46 Å
  2. 1hnd A     317 a.a. 316   X-ray 1.60 Å
  3. 1hn9 A,B     317 a.a. 316   X-ray 2.00 Å
  4. 2eft A,B     317 a.a. 316   X-ray 2.00 Å
  5. 2gyo A,B     317 a.a. 316   X-ray 2.00 Å
   more ...
There are no PDB entries containing cerulenin bound to this target protein, although there are 10 entries of the target protein (click the orange, plus icon for a list).
DrugBank drug Target 4:   UniProt id: P49327 (FAS_HUMAN)  -  Fatty acid synthase
UniProt id: P49327    2510 a.a.  
1. 3hhd A,B,C,D     852 a.a. 851   X-ray 2.15 Å
  2. 4piv A,B     610 a.a. 608   X-ray 2.30 Å
  3. 2jfd A,B,C,D     404 a.a. 401   X-ray 2.81 Å
  4. 2jfk A,B,C,D     400 a.a. 396   X-ray 2.40 Å
  5. 3tjm A     275 a.a. 271   X-ray 1.48 Å
   more ...
There are no PDB entries containing cerulenin bound to this target protein, although there are 8 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 cerulenin bound in the PDB

There is 1 "non-target" protein in the PDB containing the cerulenin 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: O34340 ()  -  3-oxoacyl-[acyl-carrier-protein] synthase 2 OS=Bacillus subtilis (strain 168) GN=fabF PE=1 SV=1
UniProt id: O34340    412 a.a.  
4ls7 A,B   413 a.a. 412   X-ray 1.67 Å
The PDB contains 1 entry of cerulenin 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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