6TXX

CRYSTAL STRUCTURE OF HUMAN FKBP51 FK1 DOMAIN A19T MUTANT IN COMPLEX WITH SAFit2

Summary for 6TXX

Entry DOI	10.2210/pdb6txx/pdb
Descriptor	Peptidyl-prolyl cis-trans isomerase FKBP5, (1R)-3-(3,4-dimethoxyphenyl)-1-{3-[2-(morpholin-4-yl)ethoxy]phenyl}propyl (2S)-1-[(2S)-2-[(1S)-cyclohex-2-en-1-yl]-2-(3,4,5-trimethoxyphenyl)acetyl]piperidine-2-carboxylate (3 entities in total)
Functional Keywords	ppiase, isomerase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	28853.13
Authors	Fiegen, D.,Draxler, S.W. (deposition date: 2020-01-14, release date: 2020-05-27, Last modification date: 2024-01-24)
Primary citation	Draxler, S.W.,Bauer, M.,Eickmeier, C.,Nadal, S.,Nar, H.,Rangel Rojas, D.,Seeliger, D.,Zeeb, M.,Fiegen, D. Hybrid Screening Approach for Very Small Fragments: X-ray and Computational Screening on FKBP51. J.Med.Chem., 63:5856-5864, 2020 Cited by PubMed: 32420743 DOI: 10.1021/acs.jmedchem.0c00120 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation