6LK2

Crystal structure of Providencia alcalifaciens 3-dehydroquinate synthase (DHQS) in complex with Mg2+, NAD and chlorogenic acid

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)	3-dehydroquinate synthase	polymer	375	41119.3	4	UniProt (X6Q997)	Providencia alcalifaciens F90-2004	DHQS
2	E, K, P, S (A, B, C, D)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	F, L, Q, T (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	G, M, R, U (A, B, C, D)	(1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid	non-polymer		356.3	4	Chemie (7LH)
5	H, I, J, N (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	O (B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
7	V, W, X, Y (A, B, C, D)	water	water		18.0	368	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 362 (UniProt: X6Q997)

PDB	External Database	Details
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	164477.0
Non-Polymers*	Number of molecules	17
	Total formula weight	4530.6
All*	Total formula weight	169007.6

*Water molecules are not included.