6NUF

Structure of Calcineurin in complex with NHE1 peptide

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 alpha isoform	polymer	372	42855.0	1	UniProt (Q08209) Pfam (PF00149) In PDB	Homo sapiens (Human)	CAM-PRP catalytic subunit,Calmodulin-dependent calcineurin A subunit alpha isoform
2	B	Calcineurin subunit B type 1	polymer	156	17755.2	1	UniProt (P63098) Pfam (PF13499) In PDB	Homo sapiens (Human)	Protein phosphatase 2B regulatory subunit 1,Protein phosphatase 3 regulatory subunit B alpha isoform 1
3	C	Sodium/hydrogen exchanger 1	polymer	48	5095.8	1	UniProt (P19634) In PDB	Homo sapiens (Human)	APNH,Na(+)/H(+) antiporter,amiloride-sensitive,Na(+)/H(+) exchanger 1,NHE-1,Solute carrier family 9 member 1
4	A	FE (III) ION	non-polymer		55.8	1	Chemie (FE)
5	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
6	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
7	A	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
8	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
9	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
10	B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
11		water	water		18.0	471	Chemie (HOH)

Sequence modifications

A: 1 - 370 (UniProt: Q08209)

PDB	External Database	Details
Gly -1	-	expression tag
His 0	-	expression tag

B: 16 - 170 (UniProt: P63098)

PDB	External Database	Details
Met 15	-	expression tag

C: 679 - 723 (UniProt: P19634)

PDB	External Database	Details
Gly 676	-	expression tag
His 677	-	expression tag
Met 678	-	expression tag
Ala 698	Arg 698	engineered mutation
Ala 700	Arg 700	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	65706.0
Non-Polymers*	Number of molecules	11
	Total formula weight	806.0
All*	Total formula weight	66512.0

*Water molecules are not included.