UniProt P0AEK4
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (P0AEK4)
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI (UniProt P0AEK4), EC 1.3.1.9: 18 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 15 pockets. Binding sites, druggability and experiment against…
- UniProt
- P0AEK4
- Protein
- Enoyl-[acyl-carrier-protein] reductase [NADH] FabI
- EC
- 1.3.1.9
- Experimental structures
- 18
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 15 · 4 records with a druggable one
Structures
19 records of P0AEK4 in the MolNFT archive: 18 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 3PJD | Structure of ENR G93A mutant-NAD+-Triclosan complex | x-ray diffraction | A, B | — | — |
| 3PJD | Structure of enr G93A mutant-NAD+-triclosan complex | x-ray diffraction | A, B | — | — |
| 3PJE | Structure of ENR G93S mutant-NAD+-triclosan complex | x-ray diffraction | A, B | — | — |
| 3PJE | Structure of enr G93S mutant-NAD+-triclosan complex | x-ray diffraction | A, B | — | — |
| 3PJF | Structure of ENR G93V mutant-NAD+-triclosan complex | x-ray diffraction | A, B | — | — |
| 3PJF | Structure of enr G93V mutant-NAD+-triclosan complex | x-ray diffraction | A, B | — | — |
| 4JQC | Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AFN-1252 | x-ray diffraction | A, B | — | — |
| 4JQC | Crystal structure of E.COLI enoyl reductase in complex with NAD and afn-1252 | x-ray diffraction | A, B | — | — |
| 4JX8 | Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AEA16 | x-ray diffraction | A, B | — | — |
| 4JX8 | Crystal structure of E.COLI enoyl reductase in complex with NAD and AEA16 | x-ray diffraction | A, B | — | — |
| 5CFZ | Crystal structure of E. coli FabI in apo form | x-ray diffraction | A, B | — | — |
| 5CFZ | Crystal structure of E. COLI fabi in apo form | x-ray diffraction | A, B | — | — |
| 5CG1 | Crystal structure of E. coli FabI bound to the carbamoylated benzodiazaborine inhibitor 14b. | x-ray diffraction | A, B | NAD, BBN | 5 (best 0.68) |
| 5CG1 | Crystal structure of E. COLI fabi bound to the carbamoylated benzodiazaborine inhibitor 14B. | x-ray diffraction | A, B | — | — |
| 5CG2 | Crystal structure of E. coli FabI bound to the thiocarbamoylated benzodiazaborine inhibitor 35b. | x-ray diffraction | A, B | NAD, CJ3 | 3 (best 0.57) |
| 5CG2 | Crystal structure of E. COLI fabi bound to the thiocarbamoylated benzodiazaborine inhibitor 35B. | x-ray diffraction | A, B | — | — |
| 7UM8 | Crystal structure of E. Coli FabI in complex with NAD and… | x-ray diffraction | A, B | NAD, NQF | 3 (best 0.79) |
| 7UMW | Crystal structure of E. Coli FabI in complex with NAD and Fabimycin… | x-ray diffraction | A, B | NAD, NUC | 4 (best 0.79) |
| P0AEK4 | AlphaFold monomer V2.0 prediction for enoyl-[acyl-carrier-protein] reductase [NADH] fabi (P0AEK4) | predicted | A | — | — |
Ligands
- NAD · Nicotinamide-adenine-dinucleotide · in 4 records
- BBN · 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carboxamide · in 1 record
- CJ3 · 1-hydroxy-2,3,1-benzodiazaborinine-2(1H)-carbothioamide · in 1 record
- NQF · (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide · in 1 record
- NUC · (2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide · in 1 record
Experiment against prediction
- 5CG2 chain B against the predicted model P0AEK4: TM-score 0.99, RMSD 0.47 Å
- 5CG2 chain B against the predicted model P0AEK4: TM-score 0.99, RMSD 0.47 Å
- 5CG1 chain B against the predicted model P0AEK4: TM-score 0.99, RMSD 0.47 Å
- 5CG1 chain B against the predicted model P0AEK4: TM-score 0.99, RMSD 0.47 Å
- 5CG2 chain A against the predicted model P0AEK4: TM-score 0.99, RMSD 0.53 Å
- 5CG2 chain A against the predicted model P0AEK4: TM-score 0.99, RMSD 0.53 Å
- 3PJE chain A against the predicted model P0AEK4: TM-score 0.99, RMSD 0.55 Å
- 3PJE chain A against the predicted model P0AEK4: TM-score 0.99, RMSD 0.55 Å
- 3PJD chain B against the predicted model P0AEK4: TM-score 0.99, RMSD 0.56 Å
- 3PJD chain B against the predicted model P0AEK4: TM-score 0.99, RMSD 0.56 Å
Elsewhere
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