8SBY

Crystal Structure of 2,3-dihydro-2,3-dihydroxybenzoate dehydrogenase from Klebsiella aerogenes (NAD and sulfate bound, hexagonal 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 (A, B)	2,3-dihydroxybenzoate-2,3-dehydrogenase	polymer	259	27573.0	2	UniProt (A0A0H3FXS4) Pfam (PF13561)	Klebsiella aerogenes KCTC 2190
2	C, J (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, E, F, G, K... (A, B)	SULFATE ION	non-polymer		96.1	9	Chemie (SO4)
4	H, I (B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	P, Q (A, B)	water	water		18.0	52	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	55146.0
Non-Polymers*	Number of molecules	13
	Total formula weight	2262.3
All*	Total formula weight	57408.3

*Water molecules are not included.