5B4K

Crystal structure of the catalytic domain of human PDE10A complexed with N-(4-((5-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy)phenyl)-1H-benzimidazol-2-amine

Summary for 5B4K

• Entry DOI: 10.2210/pdb5b4k/pdb
• Related: 5B4L
• Descriptor: cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A, MAGNESIUM ION, ZINC ION, ... (5 entities in total)
• Functional Keywords: hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm: Q9Y233
• Total number of polymer chains: 2
• Total formula weight: 78671.36

Authors

Oki, H.,Zama, Y. (deposition date: 2016-04-05, release date: 2016-06-29, Last modification date: 2023-11-08)

• Primary citation: Yoshikawa, M.,Hitaka, T.,Hasui, T.,Fushimi, M.,Kunitomo, J.,Kokubo, H.,Oki, H.,Nakashima, K.,Taniguchi, T.; Design and synthesis of potent and selective pyridazin-4(1H)-one-based PDE10A inhibitors interacting with Tyr683 in the PDE10A selectivity pocket; Bioorg.Med.Chem., 24:3447-3455, 2016; PubMed: 27301679; DOI: 10.1016/j.bmc.2016.05.049

Experimental method

X-RAY DIFFRACTION (2.9 Å)