6OQA

Crystal structure of CEP250 bound to FKBP12 in the presence of FK506-like novel natural product

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, E, F (A, B, E, F)	Peptidyl-prolyl cis-trans isomerase FKBP1A	polymer	108	11967.7	4	UniProt (P62942) Pfam (PF00254)	Homo sapiens	PPIase FKBP1A,12 kDa FK506-binding protein,FKBP-12,Calstabin-1,FK506-binding protein 1A,FKBP-1A,Immunophilin FKBP12,Rotamase
2	C, D, G, H (C, D, G, H)	Centrosome-associated protein CEP250	polymer	98	11429.8	4	UniProt (Q9BV73)	Homo sapiens (Human)	250 kDa centrosomal protein,Cep250,Centrosomal Nek2-associated protein 1,C-Nap1,Centrosomal protein 2
3	I, NA, O, QA (A, E, B, F)	(3R,4E,7E,10R,11S,12R,13S,16R,17R,24aS)-11,17-dihydroxy-10,12,16-trimethyl-3-[(2R)-1-phenylbutan-2-yl]-6,9,10,11,12,13,14,15,16,17,22,23,24,24a-tetradecahydro-3H-13,17-epoxypyrido[2,1-c][1,4]oxazacyclohenicosine-1,18,19(21H)-trione	non-polymer		609.8	4	Chemie (60Z)
4	BA, IA, J, JA, K... (C, D, A, E, B...)	1,2-ETHANEDIOL	non-polymer		62.1	16	Chemie (EDO)
5	CA, KA, LA, M, RA... (C, D, A, F, G...)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	10	Chemie (PEG)
6	N, Z (A, B)	3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL	non-polymer		370.4	2	Chemie (PE8)
7	AA, GA, MA, VA (B, C, D, G)	TRIETHYLENE GLYCOL	non-polymer		150.2	4	Chemie (PGE)
8	DA, EA, FA, UA (C, G)	TETRAETHYLENE GLYCOL	non-polymer		194.2	4	Chemie (PG4)
9	HA (D)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
10	WA (H)	MALONIC ACID	non-polymer		104.1	1	Chemie (MLA)
11	AB, BB, CB, DB, EB... (C, D, E, F, G...)	water	water		18.0	226	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	93590.1
Non-Polymers*	Number of molecules	42
	Total formula weight	6740.3
All*	Total formula weight	100330.4

*Water molecules are not included.