8SC0

Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD bound, orthorhombic form)

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)	2,3-dihydroxybenzoate-2,3-dehydrogenase	polymer	259	27573.0	4	UniProt (A0A0H3FXS4) Pfam (PF13561)	Klebsiella aerogenes KCTC 2190
2	E, F, H, J (A, B, C, D)	GLYCEROL	non-polymer		92.1	4	Chemie (GOL)
3	G, I (C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
4	K, L, M, N (A, B, C, D)	water	water		18.0	556	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 251 (UniProt: A0A0H3FXS4)

PDB	External Database	Details
Met -7	-	initiating methionine
Ala -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Asn 2	Ala 2	engineered mutation
Gly 3	Ala 3	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	110291.9
Non-Polymers*	Number of molecules	6
	Total formula weight	1695.2
All*	Total formula weight	111987.2

*Water molecules are not included.