5I2G

1,2-propanediol Dehydration in Roseburia inulinivorans; Structural Basis for Substrate and Enantiomer Selectivity

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)	Diol dehydratase	polymer	843	94114.6	2	UniProt (Q1A666) Pfam (PF02901) Pfam (PF01228)	Roseburia inulinivorans
2	C, D (A, B)	S-1,2-PROPANEDIOL	non-polymer		76.1	2	Chemie (PGO)
3	E, F (A, B)	water	water		18.0	369	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	188229.2
Non-Polymers*	Number of molecules	2
	Total formula weight	152.2
All*	Total formula weight	188381.4

*Water molecules are not included.