5F2B

Expanding Nature's Catalytic Repertoire -Directed Evolution of an Artificial Metalloenzyme for In Vivo Metathesis

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	16598.1	1	UniProt (P22629) Pfam (PF01382)	Streptomyces avidinii
2	B (A)	[1-[4-[[5-[(3~{a}~{S},4~{S},6~{a}~{R})-2-oxidanylidene-1,3,3~{a},4,6,6~{a}-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]methyl]-2,6-dimethyl-phenyl]-3-(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-1-ium-2-yl]-bis(chloranyl)ruthenium	non-polymer		719.7	1	Chemie (9RU)
3	C (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	D (A)	water	water		18.0	55	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
Ala 47	Val 71	engineered mutation
Lys 49	Asn 73	engineered mutation
Gln 114	Thr 138	engineered mutation
Gly 119	Ala 143	engineered mutation
Arg 121	Lys 145	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	16598.1
Non-Polymers*	Number of molecules	2
	Total formula weight	815.8
All*	Total formula weight	17413.8

*Water molecules are not included.