7APS

The Fk1 domain of FKBP51 in complex with (2S)-2-((1S,5R,6R)-10-((3,5-dichlorophenyl)sulfonyl)-2-oxo-5-vinyl-3,10-diazabicyclo[4.3.1]decan-3-yl)propanoic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Peptidyl-prolyl cis-trans isomerase FKBP5	polymer	128	14026.1	2	UniProt (Q13451) Pfam (PF00254)	Homo sapiens (Human)	PPIase FKBP5,51 kDa FK506-binding protein,FKBP-51,54 kDa progesterone receptor-associated immunophilin,Androgen-regulated protein 6,FF1 antigen,FK506-binding protein 5,FKBP-5,FKBP54,p54,HSP90-binding immunophilin,Rotamase
2	C, D (A, B)	(2~{S})-2-[(1~{S},5~{S},6~{R})-10-[3,5-bis(chloranyl)phenyl]sulfonyl-5-ethyl-2-oxidanylidene-3,10-diazabicyclo[4.3.1]decan-3-yl]propanoic acid	non-polymer		463.4	2	Chemie (RR5)
3	E, F (A, B)	water	water		18.0	272	Chemie (HOH)

Sequence modifications

A, B: 16 - 140 (UniProt: Q13451)

PDB	External Database	Details
Gly 13	-	expression tag
Ala 14	-	expression tag
Pro 15	-	expression tag
Thr 19	Ala 19	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	28052.2
Non-Polymers*	Number of molecules	2
	Total formula weight	926.8
All*	Total formula weight	28978.9

*Water molecules are not included.