UniProt P0A953
3-oxoacyl-[acyl-carrier-protein] synthase 1 (P0A953)
3-oxoacyl-[acyl-carrier-protein] synthase 1 (UniProt P0A953), EC 2.3.1.41: 30 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 24 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P0A953
- Protein
- 3-oxoacyl-[acyl-carrier-protein] synthase 1
- EC
- 2.3.1.41
- Experimental structures
- 30
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 24 · 3 records with a druggable one
Structures
31 records of P0A953 in the MolNFT archive: 30 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1DD8 | Crystal structure of beta-ketoacyl-[acyl carrier protein] synthase I from escherichia COLI | x-ray diffraction | A, B, C, D | — | — |
| 1DD8 | Crystal structure of beta-ketoacyl-[acyl carrier protein] synthase I from escherichia COLI | x-ray diffraction | A, B, C, D | — | — |
| 1EK4 | Beta-ketoacyl [acyl carrier protein] synthase I in complex with dodecanoic acid to 1.85 resolution | x-ray diffraction | A, B, C, D | — | — |
| 1EK4 | Beta-ketoacyl [acyl carrier protein] synthase I in complex with dodecanoic acid to 1.85 resolution | x-ray diffraction | A, B, C, D | — | — |
| 1F91 | Beta-ketoacyl-[acyl-carrier-protein] synthase I in complex with C10 fatty acid substrate | x-ray diffraction | A, B, C, D | — | — |
| 1F91 | Beta-ketoacyl-[acyl-carrier-protein] synthase I in complex with C10 fatty acid substrate | x-ray diffraction | A, B, C, D | — | — |
| 1FJ4 | The structure of beta-ketoacyl-[acyl carrier protein] synthase I in complex with thiolactomycin… | x-ray diffraction | A, B, C, D | — | — |
| 1FJ4 | The structure of beta-ketoacyl-[acyl carrier protein] synthase I in complex with thiolactomycin… | x-ray diffraction | A, B, C, D | — | — |
| 1FJ8 | The structure of beta-ketoacyl-[acyl carrier protein] synthase I in complex with cerulenin… | x-ray diffraction | A, B, C, D | — | — |
| 1FJ8 | The structure of beta-ketoacyl-[acyl carrier protein] synthase I in complex with cerulenin… | x-ray diffraction | A, B, C, D | — | — |
| 1G5X | The Structure of Beta-Ketoacyl-[Acyl Carrier Protein] Synthase I | x-ray diffraction | A, B, C, D | — | — |
| 1G5X | The structure of beta-ketoacyl-[acyl carrier protein] synthase I | x-ray diffraction | A, B, C, D | — | — |
| 2AQ7 | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit… | x-ray diffraction | A, B, C, D | — | — |
| 2AQ7 | Structure-activity relationships at the 5-posiiton of thiolactomycin: an intact 5(R)-isoprene unit… | x-ray diffraction | A, B, C, D | — | — |
| 2AQB | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit… | x-ray diffraction | A, B, C, D | — | — |
| 2AQB | Structure-activity relationships at the 5-position of thiolactomycin: an intact 5(R)-isoprene unit… | x-ray diffraction | A, B, C, D | — | — |
| 2VB7 | beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure after soak in PEG solution | x-ray diffraction | A, B, C, D | — | — |
| 2VB7 | Beta-ketoacyl-acp synthase I (kas) from E. COLI, apo structure after soak in peg solution | x-ray diffraction | A, B, C, D | — | — |
| 2VB8 | beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound inhibitor thiolactomycin | x-ray diffraction | A, B, C, D | — | — |
| 2VB8 | Beta-ketoacyl-acp synthase I (kas) from E. COLI with bound inhibitor thiolactomycin | x-ray diffraction | A, B, C, D | — | — |
| 2VB9 | beta-ketoacyl-ACP synthase I (KAS) from E. coli, apo structure | x-ray diffraction | A, B, C, D | — | — |
| 2VB9 | Beta-ketoacyl-acp synthase I (kas) from E. COLI, apo structure | x-ray diffraction | A, B, C, D | — | — |
| 2VBA | beta-ketoacyl-ACP synthase I (KAS) from E. coli with bound amino- thiazole inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 2VBA | Beta-ketoacyl-acp synthase I (kas) from E. COLI with bound amino- thiazole inhibitor | x-ray diffraction | A, B, C, D | — | — |
| 6OKC | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C12-crypto… | x-ray diffraction | A, B | MRJ | — |
| 6OKC | Crosslinked crystal structure of type II fatty acid synthase ketosynthase, fabb, and C12-crypto… | x-ray diffraction | A, B | MRJ | — |
| 6OKF | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16-crypto… | x-ray diffraction | A, B | NA, MRJ | 7 (best 0.77) |
| 6OKF | Crosslinked crystal structure of type II fatty acid synthase ketosynthase, fabb, and C16-crypto… | x-ray diffraction | A, B | NA, MRJ | — |
| 7SZ9 | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabB, and C16:1-crypto… | x-ray diffraction | A, B | NA, DJ5 | 10 (best 0.82) |
| 8SMS | Crosslinked Crystal Structure of Type II Fatty Acid Synthase, FabB, and cerulenin… | x-ray diffraction | A, B | G7U | 7 (best 0.79) |
| P0A953 | AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 1 (P0A953) | predicted | A | — | — |
Ligands
- MRJ · N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide · in 4 records
- NA · Sodium ion · in 3 records
- DJ5 · N~3~-{(2R)-4-[(dihydroxyphosphanyl)oxy]-2-hydroxy-3,3-dimethylbutanoyl}-N-(2-{[(9Z)-hexadec-9-enoyl]amino}ethyl)-beta-alaninamide · in 1 record
- G7U · N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-N-{2-[(2R)-2-hydroxy-4-oxododecanamido]ethyl}-beta-alaninamide · in 1 record
Experiment against prediction
- 1F91 chain D against the predicted model P0A953: TM-score 1.00, RMSD 0.33 Å
- 1F91 chain D against the predicted model P0A953: TM-score 1.00, RMSD 0.33 Å
- 1F91 chain A against the predicted model P0A953: TM-score 1.00, RMSD 0.34 Å
- 1F91 chain A against the predicted model P0A953: TM-score 1.00, RMSD 0.34 Å
- 2AQ7 chain A against the predicted model P0A953: TM-score 1.00, RMSD 0.34 Å
- 2AQ7 chain A against the predicted model P0A953: TM-score 1.00, RMSD 0.34 Å
- 2VB8 chain D against the predicted model P0A953: TM-score 1.00, RMSD 0.35 Å
- 2VB8 chain D against the predicted model P0A953: TM-score 1.00, RMSD 0.35 Å
- 1EK4 chain D against the predicted model P0A953: TM-score 1.00, RMSD 0.35 Å
- 1EK4 chain D against the predicted model P0A953: TM-score 1.00, RMSD 0.35 Å
Elsewhere
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