3WYE

Crystal Structure of chimeric engineered (2S,3S)-butanediol dehydrogenase 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	Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],L-2,3-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming]	polymer	256	26720.4	2	UniProt (Q48436) UniProt (Q9ZNN8) Pfam (PF00106) Pfam (PF13561) In PDB	Klebsiella pneumoniae	Acetoin(diacetyl) reductase,AR,Meso-2,3-butanediol dehydrogenase,L-BDH,(S,S)-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],Acetoin(diacetyl) reductase,AR,Meso-2,3-butanediol dehydrogenase,L-BDH,(S,S)-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],Acetoin(diacetyl) reductase,AR,Meso-2,3-butanediol dehydrogenase,L-BDH,(S,S)-butanediol dehydrogenase,Diacetyl reductase [(S)-acetoin forming],Acetoin(diacetyl) reductase,AR,Meso-2,3-butanediol dehydrogenase
2	A, B	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3		water	water		18.0	140	Chemie (HOH)

Sequence modifications

A, B: 1 - 83 (UniProt: Q48436)

PDB	External Database	Details
His 52	Arg 52	engineered mutation
Val 54	Met 54	engineered mutation

A, B: 84 - 118 (UniProt: Q9ZNN8)
A, B: 119 - 134 (UniProt: Q48436)
A, B: 135 - 161 (UniProt: Q9ZNN8)
A, B: 162 - 181 (UniProt: Q48436)
A, B: 182 - 233 (UniProt: Q9ZNN8)
A, B: 234 - 256 (UniProt: Q48436)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	53440.9
Non-Polymers*	Number of molecules	2
	Total formula weight	1326.8
All*	Total formula weight	54767.7

*Water molecules are not included.