UniProt O67575
6-carboxyhexanoate--CoA ligase (O67575)
6-carboxyhexanoate--CoA ligase (UniProt O67575), EC 6.2.1.14: 8 experimental structures and 1 predicted model on GenesisL1, 5 ligands bound, 20 pockets. Binding sites, druggability and experiment against prediction (TM-score) in…
- UniProt
- O67575
- Protein
- 6-carboxyhexanoate--CoA ligase
- EC
- 6.2.1.14
- Experimental structures
- 8
- Predicted models
- 1
- Ligands
- 5
- Pockets
- 20 · 4 records with a druggable one
Structures
9 records of O67575 in the MolNFT archive: 8 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 5TV5 | BioW from Aquifex aeoulicus | x-ray diffraction | A, B | — | 5 (best 0.74) |
| 5TV5 | Biow from aquifex aeoulicus | x-ray diffraction | A, B | — | — |
| 5TV6 | A. aeolicus BioW with pimelate | x-ray diffraction | A, B | PML | 5 (best 0.77) |
| 5TV6 | A. aeolicus biow with pimelate | x-ray diffraction | A, B | PML | — |
| 5TV8 | A. aeolicus BioW with AMP-CPP and pimelate | x-ray diffraction | A, B | APC, MG, PML | 4 (best 0.76) |
| 5TV8 | A. aeolicus biow with AMP-cpp and pimelate | x-ray diffraction | A, B | APC, MG, PML | — |
| 5TVA | A. aeolicus BioW with AMP and CoA | x-ray diffraction | A, B | AMP, COA | 6 (best 0.75) |
| 5TVA | A. aeolicus biow with AMP and CoA | x-ray diffraction | A, B | AMP, COA | — |
| O67575 | AlphaFold monomer V2.0 prediction for 6-carboxyhexanoate--CoA ligase (O67575) | predicted | A | — | — |
Ligands
Experiment against prediction
- 5TVA chain A against the predicted model O67575: TM-score 0.99, RMSD 0.54 Å
- 5TVA chain A against the predicted model O67575: TM-score 0.99, RMSD 0.54 Å
- 5TV5 chain A against the predicted model O67575: TM-score 0.99, RMSD 0.59 Å
- 5TV5 chain A against the predicted model O67575: TM-score 0.99, RMSD 0.59 Å
- 5TV8 chain A against the predicted model O67575: TM-score 0.99, RMSD 0.59 Å
- 5TV8 chain A against the predicted model O67575: TM-score 0.99, RMSD 0.59 Å
- 5TV8 chain B against the predicted model O67575: TM-score 0.99, RMSD 0.59 Å
- 5TV8 chain B against the predicted model O67575: TM-score 0.99, RMSD 0.59 Å
- 5TV6 chain B against the predicted model O67575: TM-score 0.99, RMSD 0.61 Å
- 5TV6 chain B against the predicted model O67575: TM-score 0.99, RMSD 0.61 Å
Elsewhere
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