4OKA

Structural-, Kinetic- and Docking Studies of Artificial Imine Reductases Based on the Biotin-Streptavidin Technology: An Induced Lock-and-Key Hypothesis

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	16612.1	1	UniProt (P22629) Pfam (PF01382) In PDB	Streptomyces avidinii
2	A	[N-(4-{[2-(amino-kappaN)ethyl]sulfamoyl-kappaN}phenyl)-5-(2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamidato]iridium(III)	non-polymer		632.8	1	Chemie (5IR)
3	A	IRIDIUM ION	non-polymer		192.2	1	Chemie (IR)
4		water	water		18.0	21	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
Lys 112	Ser 136	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	16612.1
Non-Polymers*	Number of molecules	2
	Total formula weight	825.0
All*	Total formula weight	17437.1

*Water molecules are not included.