6TZ7

Crystal Structure of Aspergillus fumigatus Calcineurin A, Calcineurin B, FKBP12 and FK506 (Tacrolimus)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Serine/threonine-protein phosphatase 2B catalytic subunit	polymer	388	44895.0	1	UniProt (Q4WUR1) Pfam (PF00149) In PDB	Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)	Calmodulin-dependent calcineurin A subunit
2	B	Calcineurin Ca2+-binding regulatory subunit CnaB	polymer	174	19692.1	1	UniProt (Q4WDF2) Pfam (PF13499) In PDB	Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)
3	C	FK506-binding protein 1A	polymer	127	13956.7	1	UniProt (Q4WLV6) Pfam (PF00254) In PDB	Neosartorya fumigata (strain ATCC MYA-4609 / Af293 / CBS 101355 / FGSC A1100)	FKBP,Peptidyl-prolyl cis-trans isomerase,PPIase,Rapamycin-binding protein
4	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
5	A	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
6	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7	A	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
8	B	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
9	C	8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN	non-polymer		804.0	1	Chemie (FK5)
10		water	water		18.0	103	Chemie (HOH)

Sequence modifications

A: 2 - 370 (UniProt: Q4WUR1)

PDB	External Database	Details
Met -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Ser -7	-	expression tag
Ser -6	-	expression tag
Gly -5	-	expression tag
Leu -4	-	expression tag
Val -3	-	expression tag
Pro -2	-	expression tag
Arg -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

B: 21 - 193 (UniProt: Q4WDF2)

PDB	External Database	Details
Met 20	-	expression tag

C: 2 - 112 (UniProt: Q4WLV6)

PDB	External Database	Details
Met -14	-	expression tag
Gly -13	-	expression tag
Leu -12	-	expression tag
Asn -11	-	expression tag
Asp -10	-	expression tag
Ile -9	-	expression tag
Phe -8	-	expression tag
Glu -7	-	expression tag
Ala -6	-	expression tag
Gln -5	-	expression tag
Lys -4	-	expression tag
Ile -3	-	expression tag
Glu -2	-	expression tag
Trp -1	-	expression tag
His 0	-	expression tag
Glu 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	78543.8
Non-Polymers*	Number of molecules	9
	Total formula weight	1264.6
All*	Total formula weight	79808.4

*Water molecules are not included.