4HCL

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

Replaces:  3TU2

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Isomerase/lactonizing enzyme	polymer	402	45134.0	2	UniProt (Q7CSI0) Pfam (PF02746) Pfam (PF13378) In PDB	Agrobacterium tumefaciens
2	A, B	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
3	A, B	(2R,3S,4R)-2,3,4-TRIHYDROXY-5-(HYDROXYAMINO)-5-OXOPENTANOIC ACID	non-polymer		195.1	2	Chemie (LLH)
4	A	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
5		water	water		18.0	592	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	7
	Total formula weight	681.7
All*	Total formula weight	90949.6

*Water molecules are not included.