8P5Y

Artificial transfer hydrogenase with a Mn-12 cofactor and Streptavidin S112Y-K121M mutant

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	16647.1	4	UniProt (P22629) Pfam (PF01382)	Streptomyces avidinii
2	E, I, L, O (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}-[2-(3,4-dihydro-2~{H}-pyrano[2,3-c]pyridin-6-ylmethylamino)ethyl]pentanamide	non-polymer		433.6	4	Chemie (WZQ)
3	F, G, J, K (A, B)	MANGANESE (II) ION	non-polymer		54.9	4	Chemie (MN)
4	H, M, N, P (A, C, D)	BROMIDE ION	non-polymer		79.9	4	Chemie (BR)
5	Q (D)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
6	R, S, T, U (A, B, C, D)	water	water		18.0	94	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
Met 121	Lys 145	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	66588.6
Non-Polymers*	Number of molecules	13
	Total formula weight	2309.1
All*	Total formula weight	68897.7

*Water molecules are not included.