8BA6

Structure of the FK1 domain of the FKBP51 G64S variant in complex with (2R,5S,12R)-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^5,^10]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone

Summary for 8BA6

Entry DOI	10.2210/pdb8ba6/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP5, (2~{R},5~{S},12~{R})-12-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)ethyl]-15,15,16-trimethyl-3,19-dioxa-10,13,16-triazatricyclo[18.3.1.0^{5,10}]tetracosa-1(24),20,22-triene-4,11,14,17-tetrone (3 entities in total)
Functional Keywords	isomerase inhibitor complex, isomerase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	14711.88
Authors	Meyners, C.,Hausch, F. (deposition date: 2022-10-11, release date: 2022-11-16, Last modification date: 2024-01-31)
Primary citation	Lerma Romero, J.A.,Meyners, C.,Christmann, A.,Reinbold, L.M.,Charalampidou, A.,Hausch, F.,Kolmar, H. Binding pocket stabilization by high-throughput screening of yeast display libraries. Front Mol Biosci, 9:1023131-1023131, 2022 Cited by PubMed: 36419931 DOI: 10.3389/fmolb.2022.1023131 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.1 Å)

Structure validation