6P3K

Crystal structure of LigU(C100S)

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)	(4E)-oxalomesaconate Delta-isomerase	polymer	365	37944.3	2	UniProt (Q0KJL4)	Novosphingobium sp. (strain KA1)	OMA isomerase,1,3-allylic isomerase LigU
2	C, D, E, F, G... (A, B)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
3	I, J (A, B)	water	water		18.0	388	Chemie (HOH)

Sequence modifications

A, B: 1 - 357 (UniProt: Q0KJL4)

PDB	External Database	Details
Ser 100	Cys 100	engineered mutation
Leu 358	-	expression tag
Glu 359	-	expression tag
His 360	-	expression tag
His 361	-	expression tag
His 362	-	expression tag
His 363	-	expression tag
His 364	-	expression tag
His 365	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	75888.5
Non-Polymers*	Number of molecules	6
	Total formula weight	212.7
All*	Total formula weight	76101.2

*Water molecules are not included.