4UX7

Structure of a Clostridium difficile sortase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	PUTATIVE PEPTIDASE C60B, SORTASE B	polymer	242	28320.7	2	UniProt (Q183F3) Pfam (PF04203) In PDB	CLOSTRIDIUM DIFFICILE	SORTASE B
2	A, B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
3	A, B	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
4		water	water		18.0	66	Chemie (HOH)

Sequence modifications

A, B: 50 - 242 (UniProt: Q183F3)

PDB	External Database	Details
Met 1	-	expression tag
Arg 2	-	expression tag
Gly 3	-	expression tag
Ser 4	-	expression tag
His 5	-	expression tag
His 6	-	expression tag
His 7	-	expression tag
His 8	-	expression tag
His 9	-	expression tag
His 10	-	expression tag
Gly 11	-	expression tag
Met 12	-	expression tag
Ala 13	-	expression tag
Ser 14	-	expression tag
Met 15	-	expression tag
Thr 16	-	expression tag
Gly 17	-	expression tag
Gly 18	-	expression tag
Gln 19	-	expression tag
Gln 20	-	expression tag
Met 21	-	expression tag
Gly 22	-	expression tag
Arg 23	-	expression tag
Asp 24	-	expression tag
Leu 25	-	expression tag
Tyr 26	-	expression tag
Asp 27	-	expression tag
Asp 28	-	expression tag
Asp 29	-	expression tag
Asp 30	-	expression tag
Lys 31	-	expression tag
Asp 32	-	expression tag
His 33	-	expression tag
Gln 34	-	expression tag
Thr 35	-	expression tag
Ser 36	-	expression tag
Leu 37	-	expression tag
Tyr 38	-	expression tag
Lys 39	-	expression tag
Lys 40	-	expression tag
Ala 41	-	expression tag
Gly 42	-	expression tag
Ser 43	-	expression tag
Ala 44	-	expression tag
Ala 45	-	expression tag
Ala 46	-	expression tag
Pro 47	-	expression tag
Phe 48	-	expression tag
Thr 49	-	expression tag
Ala 226	Cys 209	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	56641.3
Non-Polymers*	Number of molecules	5
	Total formula weight	794.9
All*	Total formula weight	57436.2

*Water molecules are not included.