3NNT

Crystal Structure of K170M Mutant of Type I 3-Dehydroquinate Dehydratase (aroD) from Salmonella typhimurium LT2 in Non-Covalent Complex with Dehydroquinate.

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)	1,3,4-TRIHYDROXY-5-OXO-CYCLOHEXANECARBOXYLIC ACID	non-polymer		190.2	2	Chemie (DQA)
3	E, F (A, B)	water	water		18.0	525	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	380.3
All*	Total formula weight	60587.0

*Water molecules are not included.