UniProt O33877
3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase (O33877)
3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase (UniProt O33877), EC 4.2.1.59, 5.3.3.14: 23 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 72 pockets. Binding sites, druggability and experiment…
- UniProt
- O33877
- Protein
- 3-hydroxydecanoyl-[acyl-carrier-protein] dehydratase
- EC
- 4.2.1.59, 5.3.3.14
- Experimental structures
- 23
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 72 · 5 records with a druggable one
Structures
24 records of O33877 in the MolNFT archive: 23 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4B0B | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B | — | — |
| 4B0B | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B | — | — |
| 4B0C | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, C, D, E | — | — |
| 4B0C | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B, C, D, E | — | — |
| 4B0I | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) mutant (H70N) from… | x-ray diffraction | A, B, C, D, E | — | — |
| 4B0I | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) mutant (H70N) from… | x-ray diffraction | A, B, C, D, E | — | — |
| 4B0J | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T | — | — |
| 4B0J | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T | — | — |
| 4B8U | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, C, D, E | — | — |
| 4B8U | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B, C, D, E | — | — |
| 4CL6 | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, C, D, E | — | — |
| 4CL6 | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B, C, D, E | — | — |
| 4FQ9 | Crystal Structure of 3-hydroxydecanoyl-Acyl Carrier Protein Dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J | — | — |
| 4FQ9 | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B, C, D, E, F, G, H, I, J | — | — |
| 7BHJ | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, C, D, E | TQH | 15 (best 0.78) |
| 7BHJ | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B, C, D, E | TQH | — |
| 7BIS | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA)from Pseudomonas… | x-ray diffraction | A, B, C, D, E | TZQ | 13 (best 0.73) |
| 7BIS | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FABA)FROM pseudomonas… | x-ray diffraction | A, B, C, D, E | TZQ | — |
| 7BK9 | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, D, C, E | U0W | 11 (best 0.75) |
| 7BK9 | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B, D, C, E | U0W | — |
| 7BKA | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, C, D, E | 4JC | 18 (best 0.78) |
| 7BKA | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (faba) from pseudomonas… | x-ray diffraction | A, B, C, D, E | 4JC | — |
| 8B72 | Crystal structure of 3-hydroxydecanoyl-acyl carrier protein dehydratase (FabA) from Pseudomonas… | x-ray diffraction | A, B, C, D, E | M25 | 15 (best 0.78) |
| O33877 | AlphaFold monomer V2.0 prediction for 3-hydroxydecanoyl-[acyl- carrier-protein] dehydratase (O33877) | predicted | A | — | — |
Ligands
- 4JC · 4-ethylbenzenesulfonamide · in 2 records
- TQH · ~{N}-[(5-methylfuran-2-yl)methyl]-5-thiophen-2-yl-4~{H}-1,2,4-triazol-3-amine · in 2 records
- TZQ · 5-[(3-chloranyl-4-fluoranyl-phenoxy)methyl]furan-2-carboxylic acid · in 2 records
- U0W · 5-[(2,3-Dihydro-1H-inden-5-yloxy)methyl]-2-furoic acid · in 2 records
- M25 · N-{2-[4-(aminosulfonyl)phenyl]ethyl}acetamide · in 1 record
Experiment against prediction
- 4B0I chain E against the predicted model O33877: TM-score 1.00, RMSD 0.24 Å
- 4B0I chain E against the predicted model O33877: TM-score 1.00, RMSD 0.24 Å
- 7BKA chain C against the predicted model O33877: TM-score 1.00, RMSD 0.33 Å
- 7BKA chain C against the predicted model O33877: TM-score 1.00, RMSD 0.33 Å
- 7BKA chain D against the predicted model O33877: TM-score 0.99, RMSD 0.39 Å
- 7BKA chain D against the predicted model O33877: TM-score 0.99, RMSD 0.39 Å
- 4B0I chain A against the predicted model O33877: TM-score 0.99, RMSD 0.58 Å
- 4B0I chain A against the predicted model O33877: TM-score 0.99, RMSD 0.58 Å
- 4B0I chain C against the predicted model O33877: TM-score 0.99, RMSD 0.60 Å
- 4B0I chain C against the predicted model O33877: TM-score 0.99, RMSD 0.60 Å
Elsewhere
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