6MRG
FAAH bound to non covalent inhibitor
Summary for 6MRG
| Entry DOI | 10.2210/pdb6mrg/pdb |
| Descriptor | Fatty-acid amide hydrolase 1, (1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol (3 entities in total) |
| Functional Keywords | complex, hydrolase-inhibitor complex, hydrolase/inhibitor |
| Biological source | Rattus norvegicus (Rat) |
| Total number of polymer chains | 4 |
| Total formula weight | 256514.67 |
| Authors | Saha, A.,Shih, A.,Mirzadegan, T.,Seierstad, M. (deposition date: 2018-10-12, release date: 2018-10-31, Last modification date: 2024-03-13) |
| Primary citation | Saha, A.,Shih, A.Y.,Mirzadegan, T.,Seierstad, M. Predicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation. J Chem Theory Comput, 14:5815-5822, 2018 Cited by PubMed: 30289722DOI: 10.1021/acs.jctc.8b00672 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.77 Å) |
Structure validation
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