4RET

Crystal structure of the Na,K-ATPase E2P-digoxin complex with bound magnesium

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, C)	Sodium/potassium-transporting ATPase subunit alpha-1	polymer	1021	112877.6	2	UniProt (P05024) Pfam (PF00690) Pfam (PF00122) Pfam (PF13246) Pfam (PF00702) Pfam (PF00689)	Sus scrofa (pig)	Na(+)/K(+) ATPase alpha-1 subunit, Sodium pump subunit alpha-1
2	B, E (B, D)	Sodium/potassium-transporting ATPase subunit beta-1	polymer	303	35204.4	2	UniProt (P05027) Pfam (PF00287)	Sus scrofa (pig)	Na(+),K)(+)-ATPase beta-1 subunit, Sodium/potassium-dependent ATPase subunit beta-1
3	C, F (G, E)	Na+/K+ ATPase gamma subunit transcript variant a	polymer	65	7094.1	2	UniProt (Q58K79) Pfam (PF02038)	Sus scrofa (pig)	Na(+),K)(+)-ATPase gamma subunit
4	G (F)	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	1	In PDB GlyTouCan (G42666HT)
5	H, I (H, I)	beta-D-fructofuranose-(2-1)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900003)		sucrose
6	J, K, L, T, U... (A, C)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
7	M, S, W, Y (A, G, C)	CHOLESTEROL	non-polymer		386.7	4	Chemie (CLR)
8	N, X (A, C)	DIGOXIN	non-polymer		780.9	2	Chemie (DGX)
9	O, P, R (A, B)	O-[(S)-({(2R)-2,3-bis[(9Z)-octadec-9-enoyloxy]propyl}oxy)(hydroxy)phosphoryl]-L-serine	non-polymer		788.0	3	Chemie (17F)
10	AA, BA, Q, Z (D, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	4	Chemie (NAG)
11	CA, DA (A, C)	water	water		18.0	6	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	310352.2
Branched	Number of molecules	3
	Total formula weight	1109.0
Non-Polymers*	Number of molecules	19
	Total formula weight	6503.3
All*	Total formula weight	317964.4

*Water molecules are not included.