3PK2

Artificial Transfer Hydrogenases for the Enantioselective Reduction of Cyclic Imines

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Streptavidin	polymer	159	16554.0	1	UniProt (P22629) Pfam (PF01382) In PDB	Streptomyces avidinii
2	A	{N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide}(chloro)[(1,2,3,4,5-eta)-1,2,3,4,5-pentamethylcyclopentadienyl]iridium(III)	non-polymer		807.5	1	Chemie (4IR)
3	A	IRIDIUM (III) ION	non-polymer		192.2	2	Chemie (IR3)
4		water	water		18.0	68	Chemie (HOH)

Sequence modifications

A: 14 - 159 (UniProt: P22629)

PDB	External Database	Details
Met 1	-	expression tag
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 112	Ser 136	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	16554.0
Non-Polymers*	Number of molecules	3
	Total formula weight	1191.9
All*	Total formula weight	17745.9

*Water molecules are not included.