7A6W

Structure of the FKBP51FK1 domain in complex with the macrocyclic SAFit analogue 33-(Z)

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	AAA, BBB	Peptidyl-prolyl cis-trans isomerase FKBP5	polymer	130	14273.4	2	UniProt (Q13451) Pfam (PF00254) In PDB	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	AAA, BBB	(2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione	non-polymer		771.9	2	Chemie (R3E)
3		water	water		18.0	42	Chemie (HOH)

Sequence modifications

AAA, BBB: 16 - 140 (UniProt: Q13451)

PDB	External Database	Details
His 11	-	expression tag
Met 12	-	expression tag
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	28546.7
Non-Polymers*	Number of molecules	2
	Total formula weight	1543.9
All*	Total formula weight	30090.6

*Water molecules are not included.