5APK

Ligand complex of RORg LBD

Summary for 5APK

• Entry DOI: 10.2210/pdb5apk/pdb
• Related: 5APH 5APJ
• Descriptor: NUCLEAR RECEPTOR ROR-GAMMA, 2-CHLORO-6-FLUORO-N-[4-[3-(TRIFLUOROMETHYL)PHENYL]SULFONYL-3,5-DIHYDRO-2H-1,4-BENZOXAZEPIN-7-YL]BENZAMIDE, ... (4 entities in total)
• Functional Keywords: transcription, rorg ligand, rorg agonist, structure-based design
• Biological source: HOMO SAPIENS (HUMAN); More
• Cellular location: Nucleus : P51449 P51449
• Total number of polymer chains: 3
• Total formula weight: 64527.71

Authors

Xue, Y.,Aagaard, A.,Narjes, F. (deposition date: 2015-09-16, release date: 2015-11-25, Last modification date: 2024-01-10)

• Primary citation: Olsson, R.I.,Xue, Y.,von Berg, S.,Aagaard, A.,McPheat, J.,Hansson, E.L.,Bernstrom, J.,Hansson, P.,Jirholt, J.,Grindebacke, H.,Leffler, A.,Chen, R.,Xiong, Y.,Ge, H.,Hansson, T.G.,Narjes, F.; Benzoxazepines Achieve Potent Suppression of IL-17 Release in Human T-Helper 17 (TH 17) Cells through an Induced-Fit Binding Mode to the Nuclear Receptor ROR gamma.; ChemMedChem, 11:207-216, 2016; PubMed: 26553345; DOI: 10.1002/cmdc.201500432

Experimental method

X-RAY DIFFRACTION (2.1 Å)