8SZV

Crystal structure of pregnane X receptor ligand binding domain complexed with T0901317 analog SJPYT-318

Summary for 8SZV

Entry DOI	10.2210/pdb8szv/pdb
Descriptor	Nuclear receptor subfamily 1 group I member 2, N-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]-N-[(4-phenoxyphenyl)methyl]benzenesulfonamide (3 entities in total)
Functional Keywords	nuclear receptor, transcription factor, metabolism, antibiotic, transcription
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	36790.27
Authors	Huber, A.D.,Poudel, S.,Miller, D.J.,Li, Y.,Chen, T. (deposition date: 2023-05-30, release date: 2023-10-11, Last modification date: 2023-12-20)
Primary citation	Huber, A.D.,Poudel, S.,Li, Y.,Lin, W.,Wu, J.,Miller, D.J.,Chen, T. Ligand flexibility and binding pocket malleability cooperate to allow selective PXR activation by analogs of a promiscuous nuclear receptor ligand. Structure, 31:1545-, 2023 Cited by PubMed: 37729916 DOI: 10.1016/j.str.2023.08.020 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation