UniProt O24146
4-coumarate--CoA ligase 2 (O24146)
4-coumarate--CoA ligase 2 (UniProt O24146), EC 6.2.1.12: 11 experimental structures and 1 predicted model on GenesisL1, 4 ligands bound, 46 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- O24146
- Protein
- 4-coumarate--CoA ligase 2
- EC
- 6.2.1.12
- Experimental structures
- 11
- Predicted models
- 1
- Ligands
- 4
- Pockets
- 46 · 4 records with a druggable one
Structures
12 records of O24146 in the MolNFT archive: 11 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5BSM | Crystal structure of 4-coumarate:CoA ligase complexed with magnesium and Adenosine triphosphate | x-ray diffraction | A, B | ATP, MG | 12 (best 0.76) |
| 5BSM | Crystal structure of 4-COUMARATE:COA ligase complexed with magnesium and adenosine triphosphate | x-ray diffraction | A, B | — | — |
| 5BSR | Crystal structure of 4-COUMARATE:COA ligase complexed with adenosine monophosphate and coenzyme a | x-ray diffraction | A | — | — |
| 5BST | Crystal structure of 4-COUMARATE:COA ligase complexed with coumaroyl adenylate | x-ray diffraction | A | — | — |
| 5BSU | Crystal structure of 4-COUMARATE:COA ligase complexed with caffeoyl adenylate | x-ray diffraction | A | — | — |
| 5BSV | Crystal structure of 4-coumarate:CoA ligase complexed with feruloyl adenylate | x-ray diffraction | A | 4UW | 5 (best 0.74) |
| 5BSV | Crystal structure of 4-COUMARATE:COA ligase complexed with feruloyl adenylate | x-ray diffraction | A | — | — |
| 5BSW | Crystal structure of 4-coumarate:CoA ligase delta-V341 mutant complexed with feruloyl adenylate | x-ray diffraction | A, B | 4UW | 9 (best 0.83) |
| 5BSW | Crystal structure of 4-COUMARATE:COA ligase delta-V341 mutant complexed with feruloyl adenylate | x-ray diffraction | A, B | — | — |
| 5U95 | Structure of the open conformation of 4-coumarate-CoA ligase from Nicotiana tabacum | x-ray diffraction | A, B, C, D | CA | 20 (best 0.77) |
| 5U95 | Structure of the open conformation of 4-coumarate-CoA ligase from nicotiana tabacum | x-ray diffraction | A, B, C, D | CA | — |
| O24146 | AlphaFold monomer V2.0 prediction for 4-coumarate--CoA ligase 2 (O24146) | predicted | A | — | — |
Ligands
Experiment against prediction
- 5U95 chain A against the predicted model O24146: TM-score 0.99, RMSD 0.74 Å
- 5U95 chain A against the predicted model O24146: TM-score 0.99, RMSD 0.74 Å
- 5BSW chain B against the predicted model O24146: TM-score 0.98, RMSD 1.19 Å
- 5BSW chain B against the predicted model O24146: TM-score 0.98, RMSD 1.19 Å
- 5BSW chain A against the predicted model O24146: TM-score 0.98, RMSD 1.25 Å
- 5BSW chain A against the predicted model O24146: TM-score 0.98, RMSD 1.25 Å
- 5BSM chain B against the predicted model O24146: TM-score 0.98, RMSD 1.34 Å
- 5BSM chain B against the predicted model O24146: TM-score 0.98, RMSD 1.34 Å
- 5BSM chain A against the predicted model O24146: TM-score 0.97, RMSD 1.40 Å
- 5BSM chain A against the predicted model O24146: TM-score 0.97, RMSD 1.40 Å
Elsewhere
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