7U0T

Crystal Structure of a human Calcineurin A - Calcineurin B fusion bound to FKBP12 and FK-520

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Serine/threonine-protein phosphatase 2B catalytic subunit gamma isoform,Calcineurin subunit B type 1 fusion	polymer	244	27115.4	1	UniProt (P48454) UniProt (P63098) Pfam (PF13499)	Homo sapiens (human)	CAM-PRP catalytic subunit,Calcineurin,testis-specific catalytic subunit,Calmodulin-dependent calcineurin A subunit gamma isoform,Protein phosphatase 2B regulatory subunit 1,Protein phosphatase 3 regulatory subunit B alpha isoform 1
2	B (B)	Peptidylprolyl isomerase	polymer	150	16632.6	1	UniProt (Q0VDC6) Pfam (PF00254) UniProt (by SIFTS) (P62942)	Homo sapiens (human)
3	C, D, E, F (A)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
4	G (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	H (B)	(3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,22R,26aS)-8-ethyl-5,19-dihydroxy-3-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl}-14,16-dimethoxy-4,10,12,18-tetramethyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-3H-15,19-epoxypyrido[2,1-c][1,4]oxazacyclotricosine-1,7,20,21(4H,23H)-tetrone	non-polymer		792.0	1	Chemie (KXX)
6	I, J (A, B)	water	water		18.0	62	Chemie (HOH)

Sequence modifications

A: -52 - -17 (UniProt: P48454)

PDB	External Database	Details
Met -74	-	initiating methionine
Ser -73	-	expression tag
Gly -72	-	expression tag
Ser -71	-	expression tag
His -70	-	expression tag
His -69	-	expression tag
His -68	-	expression tag
His -67	-	expression tag
His -66	-	expression tag
His -65	-	expression tag
His -64	-	expression tag
His -63	-	expression tag
Gly -62	-	expression tag
Gly -61	-	expression tag
Glu -60	-	expression tag
Asn -59	-	expression tag
Leu -58	-	expression tag
Tyr -57	-	expression tag
Phe -56	-	expression tag
Gln -55	-	expression tag
Gly -54	-	expression tag
Ser -53	-	expression tag
Gly -16	-	linker
Gly -15	-	linker
Gly -14	-	linker
Ser -13	-	linker
Ser -12	-	linker
Gly -11	-	linker
Gly -10	-	linker
Ser -9	-	linker
Thr -8	-	linker
Ser -7	-	linker
Gly -6	-	linker
Gly -5	-	linker
Ser -4	-	linker
Ser -3	-	linker
Gly -2	-	linker
Gly -1	-	linker
Gly 0	-	linker
Gly 1	-	linker

A: 2 - 169 (UniProt: P63098)
B: 1 - 107 (UniProt: Q0VDC6)

PDB	External Database	Details
Met -42	-	initiating methionine
Ser -41	-	expression tag
Gly -40	-	expression tag
Ser -39	-	expression tag
His -38	-	expression tag
His -37	-	expression tag
His -36	-	expression tag
His -35	-	expression tag
His -34	-	expression tag
His -33	-	expression tag
His -32	-	expression tag
His -31	-	expression tag
Gly -30	-	expression tag
Gly -29	-	expression tag
Glu -28	-	expression tag
Asn -27	-	expression tag
Leu -26	-	expression tag
Tyr -25	-	expression tag
Phe -24	-	expression tag
Gln -23	-	expression tag
Gly -22	-	expression tag
Ser -21	-	expression tag
Gly -20	-	expression tag
Leu -19	-	expression tag
Asn -18	-	expression tag
Asp -17	-	expression tag
Ile -16	-	expression tag
Phe -15	-	expression tag
Glu -14	-	expression tag
Ala -13	-	expression tag
Gln -12	-	expression tag
Lys -11	-	expression tag
Ile -10	-	expression tag
Glu -9	-	expression tag
Trp -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
Ser -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	43748.0
Non-Polymers*	Number of molecules	6
	Total formula weight	1014.4
All*	Total formula weight	44762.3

*Water molecules are not included.