7DQE

Crystal structure of the ADP-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	V-type sodium ATPase catalytic subunit A	polymer	600	66363.9	3	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	V-type sodium ATPase subunit B	polymer	465	51709.9	3	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, B, C	MAGNESIUM ION	non-polymer		24.3	3	Chemie (MG)
4	A, B, C	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	3	Chemie (ADP)
5	A	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6		water	water		18.0	191	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
Cys 23	Ser 23	engineered mutation

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
Cys 64	Asn 64	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	354221.4
Non-Polymers*	Number of molecules	7
	Total formula weight	1450.6
All*	Total formula weight	355672.0

*Water molecules are not included.