6AA8

Crystal structure of (S)-3-hydroxybutyryl-coenzymeA dehydrogenase from Clostridium acetobutylicum complexed with NAD+

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, E... (A, B, C, D, E...)	3-hydroxybutyryl-CoA dehydrogenase	polymer	302	32793.0	6	UniProt (P52041) Pfam (PF02737) Pfam (PF00725)	Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / LMG 5710 / VKM B-1787)	(S)-3-hydroxybutyl-CoA dehydrogenase,Beta-hydroxybutyryl-CoA dehydrogenase,BHBD
2	G, H (E, F)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	I, J, K, L, M... (A, B, C, D, E...)	water	water		18.0	404	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 282 (UniProt: P52041)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	196758.3
Non-Polymers*	Number of molecules	2
	Total formula weight	1326.8
All*	Total formula weight	198085.1

*Water molecules are not included.