7PTJ

C54S mutant of choline-sulfatase from E. meliloti CECT4857 bound to HEPES

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D	Choline sulfatase	polymer	520	59495.6	4	UniProt (A0A410NSD4) Pfam (PF00884) Pfam (PF12411) UniProt (by SIFTS) (O69787) In PDB	Rhizobium meliloti (Ensifer meliloti Sinorhizobium meliloti)
2	A, D, B, C	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	5	Chemie (EPE)
3	C, A, B, D	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
4	C, A, B	GLYCEROL	non-polymer		92.1	17	Chemie (GOL)
5	C, A, D, B	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
6		water	water		18.0	1827	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 512 (UniProt: A0A410NSD4)

PDB	External Database	Details
Ser 54	Cys 54	engineered mutation
Gly 513	-	expression tag
Ser 514	-	expression tag
His 515	-	expression tag
His 516	-	expression tag
His 517	-	expression tag
His 518	-	expression tag
His 519	-	expression tag
His 520	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	237982.2
Non-Polymers*	Number of molecules	39
	Total formula weight	4166.3
All*	Total formula weight	242148.5

*Water molecules are not included.