9M6N

Crystal Structure of the double mutant (P94A and C222A) of Sortase E from Thermobifida fusca

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (B, A)	Peptidase C60, sortase A and B	polymer	181	20223.4	2	UniProt (Q47MA6)	Thermobifida fusca YX	Peptidase C60, sortase E
2	C, D, G (B, A)	SODIUM ION	non-polymer		23.0	3	Chemie (NA) PubChem (923)
3	E, F, H, I (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
4	J, K (B, A)	water	water		18.0	201	Chemie (HOH)

Sequence modifications

B, A: 91 - 262 (UniProt: Q47MA6)

PDB	External Database	Details
Met 90	-	initiating methionine
Ala 94	Pro 94	engineered mutation
Ala 222	Cys 222	engineered mutation
Leu 263	-	expression tag
Glu 264	-	expression tag
His 265	-	expression tag
His 266	-	expression tag
His 267	-	expression tag
His 268	-	expression tag
His 269	-	expression tag
His 270	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	40446.8
Non-Polymers*	Number of molecules	7
	Total formula weight	317.2
All*	Total formula weight	40764.1

*Water molecules are not included.