9QNZ

Streptavidin 112Y-121W-124F with a thiophenol cofactor as artificial hydrogen atom transferase

This is a non-PDB format compatible entry.

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 (A, B, C, D)	Streptavidin	polymer	159	16736.2	4	UniProt (P22629)	Streptomyces avidinii
2	E, G, H, I (A, B, C, D)	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]-~{N}-(3-sulfanylphenyl)pentanamide	non-polymer		351.5	4	Chemie (A1I7Y)
3	F (A)	ACETATE ION	non-polymer		59.0	1	Chemie (ACT)
4	J (D)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	K, L, M, N (A, B, C, D)	water	water		18.0	207	Chemie (HOH)

Sequence modifications

A, B, C, D: 15 - 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 14	-	expression tag
Tyr 112	Ser 136	engineered mutation
Trp 121	Lys 145	engineered mutation
Phe 124	Leu 148	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	66944.7
Non-Polymers*	Number of molecules	6
	Total formula weight	1527.1
All*	Total formula weight	68471.8

*Water molecules are not included.