9GQA

The FK1 domain of FKBP51 in complex with the macrocyclic SAFit analog p5(2,2)-Diol-IV

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Peptidyl-prolyl cis-trans isomerase FKBP5	polymer	128	14004.0	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 (B, A)	(2~{S},9~{S},14~{S},15~{R})-2-cyclohexyl-20,23-dimethoxy-14,15-bis(oxidanyl)-11,18-dioxa-4-azatricyclo[17.2.2.0^{4,9}]tricosa-1(21),19,22-triene-3,10-dione	non-polymer		519.6	2	Chemie (A1IN7)
3	E, F (B, A)	water	water		18.0	37	Chemie (HOH)

Sequence modifications

B, A: 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
Ala 103	Cys 103	engineered mutation
Ile 107	Cys 107	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	28008.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1039.3
All*	Total formula weight	29047.3

*Water molecules are not included.