4IUO

1.8 Angstrom Crystal Structure of the Salmonella enterica 3-Dehydroquinate Dehydratase (aroD) K170M Mutant in Complex with Quinate

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)	3-dehydroquinate dehydratase	polymer	276	30103.3	2	UniProt (P58687) Pfam (PF01487)	Salmonella enterica subsp. enterica serovar Typhimurium	3-dehydroquinase, Type I DHQase
2	C, D (A, B)	(1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid	non-polymer		192.2	2	Chemie (QIC)
3	E, F (A, B)	water	water		18.0	435	Chemie (HOH)

Sequence modifications

A, B: 1 - 252 (UniProt: P58687)

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag
Met 170	Lys 170	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60206.6
Non-Polymers*	Number of molecules	2
	Total formula weight	384.3
All*	Total formula weight	60591.0

*Water molecules are not included.