UniProt P48039
Melatonin receptor type 1A (P48039)
Melatonin receptor type 1A (UniProt P48039): 16 experimental structures and 1 predicted model on GenesisL1, 6 ligands bound, 47 pockets. Binding sites, druggability and experiment against prediction (TM-score) in GL1X.
- UniProt
- P48039
- Protein
- Melatonin receptor type 1A
- Experimental structures
- 16
- Predicted models
- 1
- Ligands
- 6
- Pockets
- 47 · 9 records with a druggable one
Structures
17 records of P48039 in the MolNFT archive: 16 experimental, 1 predicted.
| Entry | Title | Method | Chains | Ligands | Pockets |
|---|---|---|---|---|---|
| 6ME2 | XFEL crystal structure of human melatonin receptor MT1 in complex with ramelteon | x-ray diffraction | A | JEV, OLA | 6 (best 0.81) |
| 6ME2 | Xfel crystal structure of human melatonin receptor MT1 in complex with ramelteon | x-ray diffraction | A | JEV, OLA | — |
| 6ME3 | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | x-ray diffraction | A | JEY, OLA | 5 (best 0.81) |
| 6ME3 | Xfel crystal structure of human melatonin receptor MT1 in complex with 2-phenylmelatonin | x-ray diffraction | A | JEY, OLA | — |
| 6ME4 | XFEL crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | x-ray diffraction | A | ML2 | 7 (best 0.83) |
| 6ME4 | Xfel crystal structure of human melatonin receptor MT1 in complex with 2-iodomelatonin | x-ray diffraction | A | ML2 | — |
| 6ME5 | XFEL crystal structure of human melatonin receptor MT1 in complex with agomelatine | x-ray diffraction | A | AWY, OLA | 6 (best 0.81) |
| 6ME5 | Xfel crystal structure of human melatonin receptor MT1 in complex with agomelatine | x-ray diffraction | A | AWY, OLA | — |
| 6PS8 | XFEL MT1R structure by ligand exchange from agomelatine to 2-phenylmelatonin. | x-ray diffraction | A | JEY | 4 (best 0.82) |
| 6PS8 | Xfel MT1R structure by ligand exchange from agomelatine to 2- phenylmelatonin. | x-ray diffraction | A | JEY | — |
| 7DB6 | human melatonin receptor MT1 - Gi1 complex | electron microscopy | D | JEV | 3 (best 0.81) |
| 7DB6 | Human melatonin receptor MT1 - GI1 complex | electron microscopy | D | JEV | — |
| 7VGY | Melatonin receptor1-2-Iodomelatonin-Gicomplex | electron microscopy | A | CLR, ML2 | 7 (best 0.79) |
| 7VGY | Melatonin RECEPTOR1-2-iodomelatonin-gicomplex | electron microscopy | A | CLR, ML2 | — |
| 7VGZ | MT1-remalteon-Gi complex | electron microscopy | B | JEV, CLR | 4 (best 0.81) |
| 7VGZ | MT1-remalteon-gi complex | electron microscopy | B | JEV, CLR | — |
| P48039 | AlphaFold monomer V2.0 prediction for melatonin receptor type 1A (P48039) | predicted | A | — | 5 (best 0.84) |
Ligands
- JEV · N-{2-[(8S)-1,6,7,8-tetrahydro-2H-indeno[5,4-b]furan-8-yl]ethyl}propanamide · in 6 records
- OLA · Oleic acid · in 6 records
- CLR · Cholesterol · in 4 records
- JEY · N-[2-(5-methoxy-2-phenyl-1H-indol-3-yl)ethyl]acetamide · in 4 records
- ML2 · N-[2-(2-iodo-5-methoxy-1H-indol-3-yl)ethyl]acetamide · in 4 records
- AWY · ~{N}-[2-(7-methoxynaphthalen-1-yl)ethyl]ethanamide · in 2 records
Experiment against prediction
- 7VGY chain A against the predicted model P48039: TM-score 0.93, RMSD 2.06 Å
- 7VGY chain A against the predicted model P48039: TM-score 0.93, RMSD 2.06 Å
- 7VGZ chain B against the predicted model P48039: TM-score 0.93, RMSD 1.97 Å
- 7VGZ chain B against the predicted model P48039: TM-score 0.93, RMSD 1.97 Å
- 7DB6 chain D against the predicted model P48039: TM-score 0.92, RMSD 1.95 Å
- 7DB6 chain D against the predicted model P48039: TM-score 0.92, RMSD 1.95 Å
- 6ME2 chain A against the predicted model P48039: TM-score 0.59, RMSD 2.16 Å
- 6ME2 chain A against the predicted model P48039: TM-score 0.59, RMSD 2.16 Å
- 6ME5 chain A against the predicted model P48039: TM-score 0.59, RMSD 2.05 Å
- 6ME5 chain A against the predicted model P48039: TM-score 0.59, RMSD 2.05 Å
Elsewhere
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