4PXO

Crystal structure of Maleylacetoacetate isomerase from Methylobacteriu extorquens AM1 WITH BOUND MALONATE AND GSH (TARGET EFI-507068)

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)	Maleylacetoacetate isomerase (Glutathione S-transferase)	polymer	238	26288.0	2	UniProt (C5ATQ9) Pfam (PF02798)	Methylobacterium extorquens
2	C, H (A, B)	MALONIC ACID	non-polymer		104.1	2	Chemie (MLA)
3	D, I (A, B)	GLUTATHIONE	non-polymer		307.3	2	Chemie (GSH)
4	E, F, G, J, K... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	8	Chemie (EDO)
5	O, P (A, B)	water	water		18.0	395	Chemie (HOH)

Sequence modifications

A, B: 2 - 215 (UniProt: C5ATQ9)

PDB	External Database	Details
Met -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
Gly -13	-	expression tag
Val -12	-	expression tag
Asp -11	-	expression tag
Leu -10	-	expression tag
Gly -9	-	expression tag
Thr -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Ser -1	-	expression tag
Met 0	-	expression tag
Val 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	52575.9
Non-Polymers*	Number of molecules	12
	Total formula weight	1319.3
All*	Total formula weight	53895.2

*Water molecules are not included.