UniProt P13516
Acyl-CoA desaturase 1 (P13516)
Acyl-CoA desaturase 1 (UniProt P13516), EC 1.14.19.1: 4 experimental structures and 1 predicted model on GenesisL1, 2 ligands bound, 11 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P13516
- Protein
- Acyl-CoA desaturase 1
- EC
- 1.14.19.1
- Experimental structures
- 4
- Predicted models
- 1
- Ligands
- 2
- Pockets
- 11 · 1 record with a druggable one
Structures
5 records of P13516 in the MolNFT archive: 4 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 4YMK | Crystal Structure of Stearoyl-Coenzyme A Desaturase 1 | x-ray diffraction | A, D | — | — |
| 4YMK | Crystal structure of stearoyl-coenzyme a desaturase 1 | x-ray diffraction | A, D | — | — |
| 6WF2 | Crystal structure of mouse SCD1 with a diiron center | x-ray diffraction | A, B | FE, 3VV | 11 (best 0.72) |
| 6WF2 | Crystal structure of mouse SCD1 with a diiron center | x-ray diffraction | A, B | FE, 3VV | — |
| P13516 | AlphaFold monomer V2.0 prediction for acyl-CoA desaturase 1 (P13516) | predicted | A | — | — |
Ligands
- 3VV · S-{(3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3, 5,9-trihydroxy-8,8-dimethyl-3,5-dioxido-10,14-dioxo-2, 4,6-trioxa-11,15-diaza-3lambda~5~,5lambda~5~-diphosphaheptadecan-17-yl} (9Z)-octadec-9-enethioate (non-preferred name) · in 2 records
- FE · Fe (III) ion · in 2 records
Experiment against prediction
- 4YMK chain D against the predicted model P13516: TM-score 1.00, RMSD 0.38 Å
- 4YMK chain D against the predicted model P13516: TM-score 1.00, RMSD 0.38 Å
- 6WF2 chain B against the predicted model P13516: TM-score 1.00, RMSD 0.42 Å
- 6WF2 chain B against the predicted model P13516: TM-score 1.00, RMSD 0.42 Å
- 4YMK chain A against the predicted model P13516: TM-score 0.98, RMSD 0.18 Å
- 4YMK chain A against the predicted model P13516: TM-score 0.98, RMSD 0.18 Å
- 6WF2 chain A against the predicted model P13516: TM-score 0.98, RMSD 0.28 Å
- 6WF2 chain A against the predicted model P13516: TM-score 0.98, RMSD 0.28 Å
Elsewhere
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