5YBI

Structure of the bacterial pathogens ATPase with substrate AMPPNP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Probable ATP synthase SpaL/MxiB	polymer	368	41181.6	2	UniProt (P0A1C1) Pfam (PF00006) Pfam (PF18269)	Shigella flexneri
2	C, D, E, F, X... (A, B)	SULFATE ION	non-polymer		96.1	7	Chemie (SO4)
3	G (A)	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	non-polymer		506.2	1	Chemie (ANP)
4	AA, BA, CA, DA, EA... (B, A)	MAGNESIUM ION	non-polymer		24.3	38	Chemie (MG)
5	WA, XA (A, B)	water	water		18.0	349	Chemie (HOH)

Sequence modifications

A, B: 84 - 430 (UniProt: P0A1C1)

PDB	External Database	Details
Mse -21	-	initiating methionine
Gly -20	-	expression tag
Ser -19	-	expression tag
Ser -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
Ser -11	-	expression tag
Ser -10	-	expression tag
Gly -9	-	expression tag
Leu -8	-	expression tag
Val -7	-	expression tag
Pro -6	-	expression tag
Arg -5	-	expression tag
Gly -4	-	expression tag
Ser -3	-	expression tag
His -2	-	expression tag
Mse -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82363.3
Non-Polymers*	Number of molecules	46
	Total formula weight	2102.2
All*	Total formula weight	84465.5

*Water molecules are not included.