4WWL

E. coli 5'-nucleotidase mutant I521C labeled with MTSL (intermediate form)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Protein UshA	polymer	533	59338.8	1	UniProt (P07024) Pfam (PF00149) Pfam (PF02872) In PDB	Escherichia coli K-12	5'-nucleotidase
2	A	S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate	non-polymer		264.4	1	Chemie (MTN)
3	A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
5	A	CARBONATE ION	non-polymer		60.0	2	Chemie (CO3)
6	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7		water	water		18.0	427	Chemie (HOH)

Sequence modifications

A: 26 - 550 (UniProt: P07024)

PDB	External Database	Details
Cys 521	Ile 521	engineered mutation
Leu 551	-	expression tag
Glu 552	-	expression tag
His 553	-	expression tag
His 554	-	expression tag
His 555	-	expression tag
His 556	-	expression tag
His 557	-	expression tag
His 558	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	59338.8
Non-Polymers*	Number of molecules	15
	Total formula weight	1471.9
All*	Total formula weight	60810.6

*Water molecules are not included.