1QXA

Crystal structure of Sortase B complexed with Gly3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	NPQTN specific sortase B	polymer	235	27920.3	1	UniProt (Q8NX63) Pfam (PF04203) UniProt (by SIFTS) (Q2FZE3)	Staphylococcus aureus
2	B (B)	peptide GLY-GLY-GLY	polymer	3	189.2	1
3	C (A)	2-(TRIMETHYLAMMONIUM)ETHYL THIOL	non-polymer		120.2	1	Chemie (ETM)
4	D (A)	water	water		18.0	26	Chemie (HOH)

Sequence modifications

A: 31 - 244 (UniProt: Q8NX63)

PDB	External Database	Details
Gly 10	-	expression tag
His 11	-	expression tag
His 12	-	expression tag
His 13	-	expression tag
His 14	-	expression tag
His 15	-	expression tag
His 16	-	expression tag
His 17	-	expression tag
His 18	-	expression tag
His 19	-	expression tag
His 20	-	expression tag
Ser 21	-	expression tag
Ser 22	-	expression tag
Gly 23	-	expression tag
His 24	-	expression tag
Ile 25	-	expression tag
Ser 26	-	expression tag
Gly 27	-	expression tag
Asp 28	-	expression tag
Ala 29	-	expression tag
Met 30	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	28109.5
Non-Polymers*	Number of molecules	1
	Total formula weight	120.2
All*	Total formula weight	28229.8

*Water molecules are not included.