8U1H

Axle-less Bacillus sp. PS3 F1 ATPase mutant

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)	ATP synthase subunit alpha	polymer	502	54908.7	3	UniProt (A0A0M3VGF9) Pfam (PF02874) Pfam (PF00006) Pfam (PF00306) UniProt (by SIFTS) (P09219)	Bacillus sp. PS3
2	D, E, F (D, E, F)	ATP synthase subunit beta	polymer	484	53424.6	3	UniProt (A0A0M4U1P9) Pfam (PF02874) Pfam (PF00006) Pfam (PF22919) UniProt (by SIFTS) (P07677)	Bacillus sp. PS3
3	G (G)	ATP synthase gamma chain	polymer	263	29677.1	1	UniProt (A0A0M4TPJ7) Pfam (PF00231) UniProt (by SIFTS) (P09222)	Bacillus sp. PS3
4	H, J, K, Q (A, B, C, F)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	4	Chemie (ANP)
5	I, L, N, R (A, C, D, F)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
6	M (D)	ADENOSINE-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (ADP)
7	O, P (D, E)	PHOSPHATE ION	non-polymer		95.0	2	Chemie (PO4)

Sequence modifications

A, B, C: 1 - 502 (UniProt: A0A0M3VGF9)

PDB	External Database	Details
Ser 193	Cys 193	engineered mutation
Phe 463	Trp 463	engineered mutation

D, E, F: 1 - 473 (UniProt: A0A0M4U1P9)

PDB	External Database	Details
Met -10	-	initiating methionine
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag

G: 5 - 259 (UniProt: A0A0M4TPJ7)

PDB	External Database	Details
Met 4	-	initiating methionine
Cys 108	Ser 109	engineered mutation
Trp 188	-	insertion
Ser 188	-	insertion
His 188	-	insertion
Pro 188	-	insertion
Gln 188	-	insertion
Phe 188	-	insertion
Glu 188	-	insertion
Cys 189	Ile 212	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	7
	Total formula weight	354677.0
Non-Polymers*	Number of molecules	11
	Total formula weight	2739.1
All*	Total formula weight	357416.1

*Water molecules are not included.