POP-OUT | CLOSE
 
Crystal structure of 3-oxoacyl-(acyl-carrier-protein) reductase (FabG) from Pseudomonas aeruginosa in complex with 2-(trifluoromethyl)-1H- benzimidazole at 2.3A resolution
4BNT
Primary Citation
 
 
  •   Molecular Description Hide
    Classification: Oxidoreductase
    Structure Weight: 113044.67
    Molecule: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE FABG
    Polymer: 1 Type: protein Length: 269
    Chains: A, B, C, D
    EC#: 1.1.1.100   
    Organism: Pseudomonas aeruginosa PAO1
    Gene Names: fabG PA2967
    UniProtKB: Protein Feature View | Search PDB | O54438  
     
  •   Structure Validation Hide

    Download full validation report    

     

  • MolProbity Ramachandran Plot
     

  •   Related Citations in PDB Entry (REMARK 1) Hide
     
  •   Source Hide
    Polymer: 1
    Scientific Name: Pseudomonas aeruginosa   Taxonomy   Expression System: Escherichia coli  
     
  •   Related PDB Entries Hide
    Identifier Details
    4BNU  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 2-PHENYL-4-(1,2,4-TRIAZOL-4-YL)QUINAZOLINE AT 2.0A RESOLUTION 
    4BNV  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 1-(2-CHLOROPHENYL)-3-(1-METHYLBENZIMIDAZOL-2-YL) UREA AT 2.5A RESOLUTION 
    4BNW  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH AN UNKNOWN LIGAND AT 1.6A RESOLUTION 
    4BNX  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 6-(4-(2-CHLOROANILINO)-1H-QUINAZOLIN-2-YLIDENE) CYCLOHEXA-2, 4-DIEN-1-ONE AT 2.3A RESOLUTION 
    4BNY  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 4-(2-PHENYLTHIENO(3,2-D)PYRIMIDIN-4-YL) MORPHOLINE AT 1.8A RESOLUTION 
    4BNZ  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 1-METHYL-N-PHENYLINDOLE-3-CARBOXAMIDE AT 2.5A RESOLUTION 
    4BO0  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 1-(4-METHOXY-1-METHYLINDAZOL-3-YL)-3-(2- METHOXYPHENYL)UREA AT 2.4A RESOLUTION 
    4BO1  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH N-(4-CHLORO-2,5-DIMETHOXYPHENYL)QUINOLINE-8- CARBOXAMIDE AT 2.2A RESOLUTION 
    4BO2  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 1-(1-ETHYLBENZIMIDAZOL-2-YL)-3-(2-METHOXYPHENYL) UREA AT 1.9A RESOLUTION 
    4BO3  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 2-(3-(TRIFLUOROMETHYL)ANILINO)PYRIDINE-3- SULFONAMIDE AT 2.5A RESOLUTION 
    4BO4  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH N-(2-METHOXYPHENYL)-3,4-DIHYDRO-2H-QUINOLINE-1 -CARBOXAMIDE AT 2.7A RESOLUTION 
    4BO5  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH N-(2-CHLOROPHENYL)-4-PYRROL-1-YL-1,3,5- TRIAZIN-2-AMINE AT 2.6A RESOLUTION 
    4BO6  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 2,3-DIHYDROINDOL-1-YL-(2-THIOPHEN-3-YL-1,3 -THIAZOL-4-YL)METHANONE AT 2.8A RESOLUTION 
    4BO7  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH N-(2,3-DIHYDRO-1H-INDEN-5-YL)TETRAZOLO(1,5 -B)PYRIDAZIN-6-AMINE AT 2.6A RESOLUTION 
    4BO8  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 1-(2-AMINO-4-PHENYLIMIDAZOL-1-YL)-3-(2- FLUOROPHENYL)UREA AT 2.7A RESOLUTION 
    4BO9  CRYSTAL STRUCTURE OF 3-OXOACYL-(ACYL-CARRIER-PROTEIN) REDUCTASE (FABG) FROM PSEUDOMONAS AERUGINOSA IN COMPLEX WITH 5-(2-(FURAN-2-YLMETHOXY)PHENYL)-2-PHENYLTETRAZOLE AT 2.9A RESOLUTION 
     
  •   Ligand Chemical Component Hide
    Identifier Formula Name View Interactions
    36E
    Search 
    Download 
    36E C8 H5 F3 N2
    2-(trifluoromethyl)-1H-benzimidazole
     
  •   External Ligand Annotations Hide
    Identifier   Binding Affinity (Sequence Identity %)
    36E
    Search 
    Download 
    36E
    N/Ain BindingDB
    IC50: 137690 nM - data from BindingMOAD  
    N/Ain PDBbind
     
  •   External Domain Annotations Hide
     
  •   Structural Biology Knowledgebase Data Hide
     
 
Data in orange boxes are gathered from external resources (when available).
 
  Biological Assembly       
Biological assembly 1 assigned by authors and generated by PISA (software)
Downloadable viewers: