UniProt P9WNP1
Probable enoyl-CoA hydratase echA6 (P9WNP1)
Probable enoyl-CoA hydratase echA6 (UniProt P9WNP1), EC 4.2.1.17: 14 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 35 pockets. Binding sites, druggability and experiment against prediction…
- UniProt
- P9WNP1
- Protein
- Probable enoyl-CoA hydratase echA6
- EC
- 4.2.1.17
- Experimental structures
- 14
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 35 · 6 records with a druggable one
Structures
15 records of P9WNP1 in the MolNFT archive: 14 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5DTP | Crystal structure of M. tuberculosis EchA6 (apo, trigonal crystal form) | x-ray diffraction | A, B, C | — | 4 (best 0.81) |
| 5DTP | Crystal structure of M. tuberculosis ECHA6 (apo, trigonal crystal form) | x-ray diffraction | A, B, C | — | — |
| 5DTW | Crystal structure of M. tuberculosis EchA6 bound to C20-CoA | x-ray diffraction | A, B, C, D, E, F | 5F9 | 10 (best 0.81) |
| 5DTW | Crystal structure of M. tuberculosis ECHA6 bound to C20-CoA | x-ray diffraction | A, B, C, D, E, F | — | — |
| 5DU4 | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK366A | x-ray diffraction | A | 5FF | 3 (best 0.65) |
| 5DU4 | Crystal structure of M. tuberculosis ECHA6 bound to ligand GSK366A | x-ray diffraction | A | — | — |
| 5DU6 | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK059A. | x-ray diffraction | A, B, C | G59 | 8 (best 0.81) |
| 5DU6 | Crystal structure of M. tuberculosis ECHA6 bound to ligand GSK059A. | x-ray diffraction | A, B, C | — | — |
| 5DU8 | Crystal structure of M. tuberculosis EchA6 bound to GSK572A | x-ray diffraction | A, B, C | 5FK | 8 (best 0.81) |
| 5DU8 | Crystal structure of M. tuberculosis ECHA6 bound to GSK572A | x-ray diffraction | A, B, C | — | — |
| 5DUC | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK951A | x-ray diffraction | A, B, C | G51 | — |
| 5DUC | Crystal structure of M. tuberculosis ECHA6 bound to ligand GSK951A | x-ray diffraction | A, B, C | — | — |
| 5DUF | Crystal structure of M. tuberculosis EchA6 bound to ligand GSK729A | x-ray diffraction | A | G7A | 2 (best 0.67) |
| 5DUF | Crystal structure of M. tuberculosis ECHA6 bound to ligand GSK729A | x-ray diffraction | A | — | — |
| P9WNP1 | AlphaFold monomer V2.0 prediction for probable enoyl-CoA hydratase ECHA6 (P9WNP1) | predicted | A | — | — |
Ligands
- 5F9 · Arachinoyl-CoA · in 1 record
- 5FF · (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide · in 1 record
- 5FK · (5R,7S)-5-(4-ethylphenyl)-N-[(5-fluoropyridin-2-yl)methyl]-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide · in 1 record
- G51 · (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide · in 1 record
- G59 · (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide · in 1 record
- G7A · (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid · in 1 record
Experiment against prediction
- 5DTW chain A against the predicted model P9WNP1: TM-score 0.98, RMSD 0.65 Å
- 5DTW chain A against the predicted model P9WNP1: TM-score 0.98, RMSD 0.65 Å
- 5DTW chain D against the predicted model P9WNP1: TM-score 0.98, RMSD 0.67 Å
- 5DTW chain D against the predicted model P9WNP1: TM-score 0.98, RMSD 0.67 Å
- 5DUC chain C against the predicted model P9WNP1: TM-score 0.98, RMSD 1.08 Å
- 5DUC chain C against the predicted model P9WNP1: TM-score 0.98, RMSD 1.08 Å
- 5DU8 chain A against the predicted model P9WNP1: TM-score 0.98, RMSD 0.71 Å
- 5DU8 chain A against the predicted model P9WNP1: TM-score 0.98, RMSD 0.71 Å
- 5DTP chain B against the predicted model P9WNP1: TM-score 0.98, RMSD 0.74 Å
- 5DTP chain B against the predicted model P9WNP1: TM-score 0.98, RMSD 0.74 Å
Elsewhere
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