4N54

Crystal structure of scyllo-inositol dehydrogenase from Lactobacillus casei with bound cofactor NAD(H) and scyllo-inositol

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	Inositol dehydrogenase	polymer	352	38719.9	4	UniProt (B3W8L4) Pfam (PF01408) Pfam (PF22725) UniProt (by SIFTS) (A0A0J9X1Y7) In PDB	Lactobacillus casei	Scyllo-inositol dehydrogenase
2	A, B, C, D	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE	non-polymer		665.4	4	Chemie (NAI)
3	A, B, D	(1r,2r,3r,4r,5r,6r)-cyclohexane-1,2,3,4,5,6-hexol	non-polymer		180.2	3	Chemie (2H3)
4		water	water		18.0	183	Chemie (HOH)

Sequence modifications

A, B, C, D: 4 - 343 (UniProt: B3W8L4)

PDB	External Database	Details
Met -8	-	expression tag
Arg -7	-	expression tag
Gly -6	-	expression tag
Ser -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Gly 2	-	expression tag
Ser 3	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	154879.7
Non-Polymers*	Number of molecules	7
	Total formula weight	3202.2
All*	Total formula weight	158081.9

*Water molecules are not included.