6T1G

Streptavidin variants harbouring an artificial organocatalyst based cofactor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Streptavidin	polymer	159	16468.9	2	UniProt (P22629) Pfam (PF01382)	Streptomyces avidinii
2	C, D (A, B)	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}-(1-pyridin-4-ylpiperidin-4-yl)pentanamide	non-polymer		403.5	2	Chemie (HL9)
3	E (B)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
4	F, G (A, B)	water	water		18.0	156	Chemie (HOH)

Sequence modifications

A, B: 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	conflict
Lys 49	Asn 73	conflict
Ala 112	Ser 136	conflict
Gly 119	Ala 143	conflict
Ala 121	Lys 145	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	32937.8
Non-Polymers*	Number of molecules	3
	Total formula weight	869.2
All*	Total formula weight	33807.0

*Water molecules are not included.