4AV7

Structure determination of the double mutant S233Y F250G from the sec- alkyl sulfatase PisA1

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, E... (A, B, C, D, E...)	SEC-ALKYLSULFATASE	polymer	668	73965.0	6	UniProt (F8KAY7) Pfam (PF00753) Pfam (PF14863) Pfam (PF14864)	PSEUDOMONAS SP. DSM 6611	PISA1-DM, SECONDARY ALKYLSULFATASE
2	G, H, J, K, M... (A, B, C, D, E...)	ZINC ION	non-polymer		65.4	12	Chemie (ZN)
3	I, L, O, R, U... (A, B, C, D, E...)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	AA, BA, CA, DA, Y... (C, D, E, F, A...)	water	water		18.0	318	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 660 (UniProt: F8KAY7)

PDB	External Database	Details
Leu 661	-	expression tag
Glu 662	-	expression tag
His 663	-	expression tag
His 664	-	expression tag
His 665	-	expression tag
His 666	-	expression tag
His 667	-	expression tag
His 668	-	expression tag
Arg 107	His 107	conflict
Tyr 233	Ser 233	engineered mutation
Gly 250	Phe 250	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	443789.9
Non-Polymers*	Number of molecules	18
	Total formula weight	1361.3
All*	Total formula weight	445151.2

*Water molecules are not included.