5ZE9

Crystal structure of AMP-PNP bound mutant A3B3 complex from Enterococcus hirae V-ATPase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	V-type sodium ATPase catalytic subunit A	polymer	600	66347.8	3	UniProt (Q08636)	Enterococcus hirae (strain ATCC 9790 / DSM 20160 / JCM 8729 / LMG 6399 / NBRC 3181 / NCIMB 6459 / NCDO 1258)	Na(+)-translocating ATPase subunit A,V-type sodium pump catalytic subunit A
2	D, E, F (D, E, F)	V-type sodium ATPase subunit B	polymer	465	51770.9	3	UniProt (Q08637)	Enterococcus hirae (strain ATCC 9790 / DSM 20160 / JCM 8729 / LMG 6399 / NBRC 3181 / NCIMB 6459 / NCDO 1258)	Na(+)-translocating ATPase subunit B,V-type sodium pump subunit B
3	BA, G, P (C, A, B)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	3	Chemie (ANP)
4	CA, H, Q (C, A, B)	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
5	AA, DA, EA, FA, GA... (B, C, A, D, E...)	GLYCEROL	non-polymer		92.1	39	Chemie (GOL)
6	LA (D)	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	non-polymer		195.2	1	Chemie (MES)
7	AB, BB, CB, DB, EB... (A, B, C, D, E...)	water	water		18.0	1299	Chemie (HOH)

Sequence modifications

A, B, C: 1 - 593 (UniProt: Q08636)

PDB	External Database	Details
Gly -6	-	expression tag
Ser -5	-	expression tag
Ser -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag

D, E, F: 1 - 458 (UniProt: Q08637)

PDB	External Database	Details
Gly -6	-	expression tag
Ser -5	-	expression tag
Ser -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
Ser -1	-	expression tag
Gly 0	-	expression tag
Tyr 65	Leu 65	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	354356.1
Non-Polymers*	Number of molecules	46
	Total formula weight	5378.4
All*	Total formula weight	359734.5

*Water molecules are not included.