UniProt P0A6R0
3-oxoacyl-[acyl-carrier-protein] synthase 3 (P0A6R0)
3-oxoacyl-[acyl-carrier-protein] synthase 3 (UniProt P0A6R0), EC 2.3.1.180: 27 experimental structures and 1 predicted model on GenesisL1, 3 ligands bound, 2 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P0A6R0
- Protein
- 3-oxoacyl-[acyl-carrier-protein] synthase 3
- EC
- 2.3.1.180
- Experimental structures
- 27
- Predicted models
- 1
- Ligands
- 3
- Pockets
- 2 · 1 record with a druggable one
Structures
28 records of P0A6R0 in the MolNFT archive: 27 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1EBL | The 1.8 a crystal structure and active site architecture of beta-ketoacyl-[acyl carrier protein]… | x-ray diffraction | A, B | — | — |
| 1EBL | The 1.8 a crystal structure and active site architecture of beta- ketoacyl-[acyl carrier protein]… | x-ray diffraction | A, B | — | — |
| 1HN9 | Crystal structure of beta-ketoacyl-acp synthase III | x-ray diffraction | A, B | — | — |
| 1HN9 | Crystal structure of beta-ketoacyl-acp synthase III | x-ray diffraction | A, B | — | — |
| 1HND | Crystal structure of beta-ketoacyl-acp synthase III-CoA complex | x-ray diffraction | A | — | — |
| 1HND | Crystal structure of beta-ketoacyl-acp synthase III-CoA complex | x-ray diffraction | A | — | — |
| 1HNH | Crystal structure of beta-ketoacyl-acp synthase III + degraded form of acetyl-CoA | x-ray diffraction | A | — | — |
| 1HNH | Crystal structure of beta-ketoacyl-acp synthase III + degraded form of acetyl-CoA | x-ray diffraction | A | — | — |
| 1HNJ | Crystal structure of beta-ketoacyl-acp synthase III + malonyl-CoA | x-ray diffraction | A | — | — |
| 1HNJ | Crystal structure of beta-ketoacyl-acp synthase III + malonyl-CoA | x-ray diffraction | A | — | — |
| 1HNK | Crystal structure of beta-ketoacyl-acp synthase III, apo tetragonal form | x-ray diffraction | A | — | — |
| 1HNK | Crystal structure of beta-ketoacyl-acp synthase III, apo tetragonal form | x-ray diffraction | A | — | — |
| 1MZS | CRYSTAL STRUCTURE OF BETA-KETOACYL-ACP SYNTHASE III WITH BOUND dichlorobenzyloxy-indole-carboxylic… | x-ray diffraction | A | — | — |
| 1MZS | Crystal structure of beta-ketoacyl-acp synthase III with bound dichlorobenzyloxy-indole-carboxylic… | x-ray diffraction | A | — | — |
| 2EFT | Methanethiol-CYS 112 inhibition complex of E. coli ketoacyl synthase III (FABH) and Coenzyme A… | x-ray diffraction | A, B | — | — |
| 2EFT | Methanethiol-cys 112 inhibition complex of E. COLI ketoacyl synthase III (fabh) and coenzyme a… | x-ray diffraction | A, B | — | — |
| 2GYO | Methanethiol-Cys 112 Inhibition Complex of E. Coli Ketoacyl Synthase III (FabH) and Coenzyme A | x-ray diffraction | A, B | — | — |
| 2GYO | Methanethiol-cys 112 inhibition complex of E. COLI ketoacyl synthase III (fabh) and coenzyme a | x-ray diffraction | A, B | — | — |
| 3IL9 | Structure of E. coli FabH | x-ray diffraction | A, B | — | — |
| 3IL9 | Structure of E. COLI fabh | x-ray diffraction | A, B | — | — |
| 5BNM | E. coli FabH with Small Molecule Inhibitor 1 | x-ray diffraction | A, B | — | — |
| 5BNM | E. COLI fabh with small molecule inhibitor 1 | x-ray diffraction | A, B | — | — |
| 5BNR | E. COLI fabh with small molecule inhibitor 2 | x-ray diffraction | A | — | — |
| 5BNS | E. COLI fabh with small molecule inhibitor 2 | x-ray diffraction | A, B | — | — |
| 6X7R | E. coli beta-ketoacyl-[acyl carrier protein] synthase III (FabH) in complex with… | x-ray diffraction | A | UT7, MG | 2 (best 0.67) |
| 6X7R | E. COLI beta-ketoacyl-[acyl carrier protein] synthase III (fabh) in complex with… | x-ray diffraction | A | UT7, MG | — |
| 8D1U | E. COLI beta-ketoacyl-[acyl carrier protein] synthase III (fabh) with an acetylated cysteine and in… | x-ray diffraction | A | UT7, CL | — |
| P0A6R0 | AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 3 (P0A6R0) | predicted | A | — | — |
Ligands
Experiment against prediction
- 5BNR chain A against the predicted model P0A6R0: TM-score 1.00, RMSD 0.42 Å
- 1MZS chain A against the predicted model P0A6R0: TM-score 1.00, RMSD 0.44 Å
- 1MZS chain A against the predicted model P0A6R0: TM-score 1.00, RMSD 0.44 Å
- 3IL9 chain B against the predicted model P0A6R0: TM-score 1.00, RMSD 0.45 Å
- 3IL9 chain B against the predicted model P0A6R0: TM-score 1.00, RMSD 0.45 Å
- 1HNJ chain A against the predicted model P0A6R0: TM-score 1.00, RMSD 0.46 Å
- 1HNJ chain A against the predicted model P0A6R0: TM-score 1.00, RMSD 0.46 Å
- 1HN9 chain A against the predicted model P0A6R0: TM-score 1.00, RMSD 0.46 Å
- 1HN9 chain A against the predicted model P0A6R0: TM-score 1.00, RMSD 0.46 Å
- 1EBL chain B against the predicted model P0A6R0: TM-score 1.00, RMSD 0.46 Å
Elsewhere
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