4MMW

Crystal structure of D-glucarate dehydratase from Agrobacterium tumefaciens complexed with magnesium, L-Xylarohydroxamate and L-Lyxarohydroxamate

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)	Isomerase/lactonizing enzyme	polymer	405	45491.5	2	UniProt (Q7CSI0) Pfam (PF02746) Pfam (PF13378)	Agrobacterium fabrum (Agrobacterium tumefaciens)
2	C, D, E, N, O... (A, B)	MAGNESIUM ION	non-polymer		24.3	6	Chemie (MG)
3	F, Q (A, B)	XYLAROHYDROXAMATE	non-polymer		194.1	2	Chemie (XYH)
4	G, R (A, B)	(2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID	non-polymer		195.1	2	Chemie (LLH)
5	H, I, J, K, L... (A, B)	CHLORIDE ION	non-polymer		35.5	10	Chemie (CL)
6	M (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
7	X, Y (A, B)	water	water		18.0	741	Chemie (HOH)

Sequence modifications

A, B: 1 - 382 (UniProt: Q7CSI0)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Ile -1	-	expression tag
Ile 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90983.0
Non-Polymers*	Number of molecules	21
	Total formula weight	1429.0
All*	Total formula weight	92412.0

*Water molecules are not included.