6NX1

STRUCTURE OF HUMAN PREGNANE X RECEPTOR LIGAND BINDING DOMAIN BOUND TETHERED WITH SRC CO-ACTIVATOR PEPTIDE AND COMPOUND-3 AKA 1,1,1,3,3,3-HEXAFLUORO-2-{4-[1-(4- LUOROBENZENESULFONYL)CYCLOPENTYL]PHENYL}PROPAN-2-OL

Summary for 6NX1

Entry DOI	10.2210/pdb6nx1/pdb
Descriptor	Nuclear receptor subfamily 1 group I member 2,Nuclear receptor coactivator 1 fusion, 1,1,1,3,3,3-hexafluoro-2-(4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}phenyl)propan-2-ol (3 entities in total)
Functional Keywords	multiple binding modes, xenobiotic, promiscuous, nuclear hormone receptor, pxr, rorgt, transferase
Biological source	Homo sapiens (Human) More
Total number of polymer chains	2
Total formula weight	80732.07
Authors	Khan, J.A. (deposition date: 2019-02-07, release date: 2020-02-12, Last modification date: 2024-03-13)
Primary citation	Duan, J.J.,Lu, Z.,Jiang, B.,Stachura, S.,Weigelt, C.A.,Sack, J.S.,Khan, J.,Ruzanov, M.,Galella, M.A.,Wu, D.R.,Yarde, M.,Shen, D.R.,Shuster, D.J.,Borowski, V.,Xie, J.H.,Zhang, L.,Vanteru, S.,Gupta, A.K.,Mathur, A.,Zhao, Q.,Foster, W.,Salter-Cid, L.M.,Carter, P.H.,Dhar, T.G.M. Structure-based Discovery of Phenyl (3-Phenylpyrrolidin-3-yl)sulfones as Selective, Orally Active ROR gamma t Inverse Agonists. Acs Med.Chem.Lett., 10:367-373, 2019 Cited by PubMed: 30891142 DOI: 10.1021/acsmedchemlett.9b00010 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.27 Å)

Structure validation