6LLA

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

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	3-dehydroquinate synthase	polymer	375	41119.3	4	UniProt (X6Q997) In PDB	Providencia alcalifaciens F90-2004	DHQS
2	A, C, D, B	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	4	Chemie (NAD)
3	A, C, D, B	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
4	B, A, C, D	1,2-ETHANEDIOL	non-polymer		62.1	31	Chemie (EDO)
5	B, A, C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	9	Chemie (PEG)
6		water	water		18.0	1094	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	48
	Total formula weight	5630.1
All*	Total formula weight	170107.1

*Water molecules are not included.