4MJL

Crystal Structure of myo-inositol dehydrogenase from Lactobacillus casei in complex with NAD and D-chiro-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 (A, B, C, D)	Inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase	polymer	351	38660.5	4	UniProt (B3W8L3) Pfam (PF01408) Pfam (PF02894) UniProt (by SIFTS) (A0A0J9X1Y2)	Lactobacillus casei	Myo-inositol 2-dehydrogenase/D-chiro-inositol 3-dehydrogenase
2	E, J, N, S (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	F, G, K, O, P... (A, B, C, D)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
4	H, I, L, M, R... (A, B, C, D)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
5	T (D)	(1R,2R,3S,4S,5S,6S)-CYCLOHEXANE-1,2,3,4,5,6-HEXOL	non-polymer		180.2	1	Chemie (CBU)
6	AA, X, Y, Z (D, A, B, C)	water	water		18.0	1177	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 339 (UniProt: B3W8L3)

PDB	External Database	Details
Met -11	-	expression tag
Arg -10	-	expression tag
Gly -9	-	expression tag
Ser -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag
Glu 292	Gln 292	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	154642.1
Non-Polymers*	Number of molecules	19
	Total formula weight	4147.0
All*	Total formula weight	158789.1

*Water molecules are not included.