6US6

Artificial Iron Proteins: Modelling the Active Sites in Non-Heme Dioxygenases

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Streptavidin	polymer	159	16553.0	1	UniProt (P22629) Pfam (PF01382)	Streptomyces avidinii
2	B (A)	{N-(2-{bis[(pyridin-2-yl-kappaN)methyl]amino-kappaN}ethyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}iron(3+)	non-polymer		524.5	1	Chemie (QFY)
3	C, D, E (A)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
4	F (A)	water	water		18.0	63	Chemie (HOH)

Sequence modifications

A: 14 - 159 (UniProt: P22629)

PDB	External Database	Details
Met 1	-	initiating methionine
Ala 2	-	expression tag
Ser 3	-	expression tag
Met 4	-	expression tag
Thr 5	-	expression tag
Gly 6	-	expression tag
Gly 7	-	expression tag
Gln 8	-	expression tag
Gln 9	-	expression tag
Met 10	-	expression tag
Gly 11	-	expression tag
Arg 12	-	expression tag
Asp 13	-	expression tag
Gln 101	Glu 125	engineered mutation
Glu 112	Ser 136	engineered mutation
Ala 121	Lys 145	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	16553.0
Non-Polymers*	Number of molecules	4
	Total formula weight	701.6
All*	Total formula weight	17254.6

*Water molecules are not included.