6L6E

Human PDE5 catalytic core in complex with avanafil

Summary for 6L6E

Entry DOI	10.2210/pdb6l6e/pdb
Descriptor	cGMP-specific 3',5'-cyclic phosphodiesterase, 4-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-N-(pyrimidin-2-ylmethyl)pyrimid ine-5-carboxamide, ZINC ION, ... (6 entities in total)
Functional Keywords	phosphodiesterase isoform 5, avanafil, enzyme-drug complex, co-crystallization, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	39660.59
Authors	Hsieh, C.M.,Chan, N.L. (deposition date: 2019-10-28, release date: 2020-09-02, Last modification date: 2023-11-22)
Primary citation	Hsieh, C.M.,Chen, C.Y.,Chern, J.W.,Chan, N.L. Structure of Human Phosphodiesterase 5A1 Complexed with Avanafil Reveals Molecular Basis of Isoform Selectivity and Guidelines for Targeting alpha-Helix Backbone Oxygen by Halogen Bonding. J.Med.Chem., 63:8485-8494, 2020 Cited by PubMed: 32663396 DOI: 10.1021/acs.jmedchem.0c00853 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.92 Å)

Structure validation