7FAQ
Crystal structure of PDE5A in complex with inhibitor L1
Summary for 7FAQ
Entry DOI | 10.2210/pdb7faq/pdb |
Descriptor | cGMP-specific 3',5'-cyclic phosphodiesterase, ZINC ION, MAGNESIUM ION, ... (6 entities in total) |
Functional Keywords | hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 40792.82 |
Authors | Wu, D.,Huang, Y.Y.,Luo, H.B. (deposition date: 2021-07-07, release date: 2022-05-18, Last modification date: 2023-11-29) |
Primary citation | Wu, D.,Zheng, X.,Liu, R.,Li, Z.,Jiang, Z.,Zhou, Q.,Huang, Y.,Wu, X.N.,Zhang, C.,Huang, Y.Y.,Luo, H.B. Free energy perturbation (FEP)-guided scaffold hopping. Acta Pharm Sin B, 12:1351-1362, 2022 Cited by PubMed: 35530128DOI: 10.1016/j.apsb.2021.09.027 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.20013606546 Å) |
Structure validation
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