2XGA

MTSL spin-labelled Shigella Flexneri Spa15

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)	SURFACE PRESENTATION OF ANTIGENS PROTEIN SPAK	polymer	153	17297.7	2	UniProt (P35530) Pfam (PF03519)	SHIGELLA FLEXNERI	SPA15, CLASS 1B TYPE III SECRETION SYSTEM CHAPERONE SPA15
2	C, D (A, B)	S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate	non-polymer		264.4	2	Chemie (MTN)
3	E, F (A, B)	water	water		18.0	80	Chemie (HOH)

Sequence modifications

A, B: 1 - 133 (UniProt: P35530)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	34595.4
Non-Polymers*	Number of molecules	2
	Total formula weight	528.8
All*	Total formula weight	35124.1

*Water molecules are not included.