7DQD

Crystal structure of the AMP-PNP-bound mutant A(S23C)3B(N64C)3 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, I, J...	V-type sodium ATPase catalytic subunit A	polymer	600	66363.9	6	UniProt (Q08636) Pfam (PF02874) Pfam (PF16886) Pfam (PF00006) In PDB	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, L, M...	V-type sodium ATPase subunit B	polymer	465	51709.9	6	UniProt (Q08637) Pfam (PF02874) Pfam (PF00006) In PDB	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	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
4	B, C, J, K	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	4	Chemie (ANP)
5	B, C, J, K	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6		water	water		18.0	12	Chemie (HOH)

Sequence modifications

A, B, C, I, J, K: 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
Cys 23	Ser 23	engineered mutation

D, E, F, L, M, N: 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
Cys 64	Asn 64	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	708442.8
Non-Polymers*	Number of molecules	9
	Total formula weight	2214.1
All*	Total formula weight	710656.9

*Water molecules are not included.