3HFK

Crystal structure of 4-methylmuconolactone methylisomerase (H52A) in complex with 4-methylmuconolactone

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	4-methylmuconolactone methylisomerase	polymer	116	13576.6	4	UniProt (C5MR76) Pfam (PF09448) In PDB	Pseudomonas reinekei
2	A, B, C, D	[(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid	non-polymer		156.1	7	Chemie (4ML)
3		water	water		18.0	518	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 107 (UniProt: C5MR76)

PDB	External Database	Details
Pro -8	-	expression tag
Gln -7	-	expression tag
Phe -6	-	expression tag
Glu -5	-	expression tag
Lys -4	-	expression tag
Ile -3	-	expression tag
Glu -2	-	expression tag
Gly -1	-	expression tag
Arg 0	-	expression tag
Ala 52	His 52	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	54306.5
Non-Polymers*	Number of molecules	7
	Total formula weight	1093.0
All*	Total formula weight	55399.4

*Water molecules are not included.