4HCH

CRYSTAL STRUCTURE OF D-GLUCARATE DEHYDRATASE FROM AGROBACTERIUM TUMEFACIENS complexed with magnesium and L-tartrate

Replaces:  3SHH

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	402	45134.0	2	UniProt (Q7CSI0) Pfam (PF02746) Pfam (PF13378)	Agrobacterium tumefaciens
2	C, M (A, B)	L(+)-TARTARIC ACID	non-polymer		150.1	2	Chemie (TLA)
3	D, E, F, N, O... (A, B)	GLYCEROL	non-polymer		92.1	7	Chemie (GOL)
4	G, H, R, S (A, B)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	I, T (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
6	J (A)	TRIETHYLENE GLYCOL	non-polymer		150.2	1	Chemie (PGE)
7	K, L, U, V (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
8	W, X (A, B)	water	water		18.0	950	Chemie (HOH)

Sequence modifications

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

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90267.9
Non-Polymers*	Number of molecules	20
	Total formula weight	1486.5
All*	Total formula weight	91754.4

*Water molecules are not included.