UniProt P0AAI5
3-oxoacyl-[acyl-carrier-protein] synthase 2 (P0AAI5)
3-oxoacyl-[acyl-carrier-protein] synthase 2 (UniProt P0AAI5), EC 2.3.1.179: 32 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 22 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P0AAI5
- Protein
- 3-oxoacyl-[acyl-carrier-protein] synthase 2
- EC
- 2.3.1.179
- Experimental structures
- 32
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 22 · 4 records with a druggable one
Structures
33 records of P0AAI5 in the MolNFT archive: 32 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 1B3N | Beta-ketoacyl carrier protein synthase as a drug target, implications from the crystal structure of… | x-ray diffraction | A | — | — |
| 1B3N | Beta-ketoacyl carrier protein synthase as a drug target, implications from the crystal structure of… | x-ray diffraction | A | — | — |
| 1KAS | Beta-ketoacyl-acp synthase II from escherichia COLI | x-ray diffraction | A | — | — |
| 1KAS | Beta-ketoacyl-acp synthase II from escherichia COLI | x-ray diffraction | A | — | — |
| 2GFV | Structure of E. coli FabF (KASII) C163Q mutant | x-ray diffraction | A | — | — |
| 2GFV | Structure of E. COLI fabf (kasii) C163Q mutant | x-ray diffraction | A | — | — |
| 2GFW | Structure of wild type E. coli FabF (KASII) | x-ray diffraction | A | — | — |
| 2GFW | Structure of wild type E. COLI fabf (kasii) | x-ray diffraction | A | — | — |
| 2GFX | Structure of E. coli FabF(C163Q) in complex with Platensimycin | x-ray diffraction | A | — | — |
| 2GFX | Structure of E. COLI FABF(C163Q) in complex with platensimycin | x-ray diffraction | A | — | — |
| 2GFY | Structure of E. coli FabF(K335A) mutant with covalently linked dodecanoic acid | x-ray diffraction | A | — | — |
| 2GFY | Structure of E. COLI FABF(K335A) mutant with covalently linked dodecanoic acid | x-ray diffraction | A | — | — |
| 3G0Y | Structure of E. coli FabF(C163Q) in complex with dihydroplatensimycin | x-ray diffraction | A | — | — |
| 3G0Y | Structure of E. COLI FABF(C163Q) in complex with dihydroplatensimycin | x-ray diffraction | A | — | — |
| 3G11 | Structure of E. coli FabF(C163Q) in complex with dihydrophenyl platensimycin | x-ray diffraction | A | — | — |
| 3G11 | Structure of E. COLI FABF(C163Q) in complex with dihydrophenyl platensimycin | x-ray diffraction | A | — | — |
| 3HNZ | Structure of E. coli FabF(C163A) in Complex with Platensimycin | x-ray diffraction | A | — | — |
| 3HNZ | Structure of E. COLI FABF(C163A) in complex with platensimycin | x-ray diffraction | A | — | — |
| 3HO2 | Structure of E.coli FabF(C163A) in complex with Platencin | x-ray diffraction | A | — | — |
| 3HO2 | Structure of E.COLI FABF(C163A) in complex with platencin | x-ray diffraction | A | — | — |
| 3HO9 | Structure of E.coli FabF(C163A) in complex with Platencin A1 | x-ray diffraction | A | — | — |
| 3HO9 | Structure of E.COLI FABF(C163A) in complex with platencin A1 | x-ray diffraction | A | — | — |
| 3I8P | Crystal structure of E. coli FabF(C163A) in complex with Platensimycin A1 | x-ray diffraction | A | — | — |
| 3I8P | Crystal structure of E. COLI FABF(C163A) in complex with platensimycin A1 | x-ray diffraction | A | — | — |
| 6OKG | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16-crypto… | x-ray diffraction | A | NA, MU4 | 4 (best 0.61) |
| 6OKG | Crosslinked crystal structure of type II fatty acid synthase ketosynthase, fabf, and C16-crypto… | x-ray diffraction | A | NA, MU4 | — |
| 6OLT | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C12-crypto… | x-ray diffraction | A | MRJ | 3 (best 0.63) |
| 6OLT | Crosslinked crystal structure of type II fatty acid synthase ketosynthase, fabf, and C12-crypto… | x-ray diffraction | A | MRJ | — |
| 7L4E | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C16:1-crypto… | x-ray diffraction | A | MU4 | 4 (best 0.61) |
| 7L4E | Crosslinked crystal structure of type II fatty acid synthase ketosynthase, fabf, and C16:1-crypto… | x-ray diffraction | A | MU4 | — |
| 7L4L | Crosslinked Crystal Structure of Type II Fatty Acid Synthase Ketosynthase, FabF, and C8-crypto Acyl… | x-ray diffraction | A, B | NA, DYF | 11 (best 0.77) |
| 7L4L | Crosslinked crystal structure of type II fatty acid synthase ketosynthase, fabf, and C8-crypto acyl… | x-ray diffraction | A, B | NA, DYF | — |
| P0AAI5 | AlphaFold monomer V2.0 prediction for 3-oxoacyl-[acyl-carrier- protein] synthase 2 (P0AAI5) | predicted | A | — | — |
Ligands
- MU4 · N-[2-(hexadecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3, 3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide · in 4 records
- NA · Sodium ion · in 4 records
- DYF · [(3~{R})-2,2-dimethyl-4-[[3-[2-[[(~{E})-oct-2-enoyl]amino]ethylamino]-3-oxidanylidene-propyl]amino]-3-oxidanyl-4-oxidanylidene-butyl] dihydrogen phosphate · in 2 records
- MRJ · N-[2-(dodecanoylamino)ethyl]-N~3~-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alaninamide · in 2 records
Experiment against prediction
- 1KAS chain A against the predicted model P0AAI5: TM-score 1.00, RMSD 0.42 Å
- 1KAS chain A against the predicted model P0AAI5: TM-score 1.00, RMSD 0.42 Å
- 1B3N chain A against the predicted model P0AAI5: TM-score 1.00, RMSD 0.44 Å
- 1B3N chain A against the predicted model P0AAI5: TM-score 1.00, RMSD 0.44 Å
- 7L4L chain B against the predicted model P0AAI5: TM-score 1.00, RMSD 0.46 Å
- 7L4L chain B against the predicted model P0AAI5: TM-score 1.00, RMSD 0.46 Å
- 3G11 chain A against the predicted model P0AAI5: TM-score 1.00, RMSD 0.49 Å
- 3G11 chain A against the predicted model P0AAI5: TM-score 1.00, RMSD 0.49 Å
- 2GFY chain A against the predicted model P0AAI5: TM-score 1.00, RMSD 0.49 Å
- 2GFY chain A against the predicted model P0AAI5: TM-score 1.00, RMSD 0.49 Å
Elsewhere
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