6P3H

Crystal structure of LigU(K66M) bound to substrate

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 (A, D, C, B)	(4E)-oxalomesaconate Delta-isomerase	polymer	365	37962.3	4	UniProt (Q0KJL4) Pfam (PF04303)	Novosphingobium sp. (strain KA1)	OMA isomerase,1,3-allylic isomerase LigU
2	E, H, J, L (A, D, C, B)	(1E)-4-oxobut-1-ene-1,2,4-tricarboxylic acid	non-polymer		202.1	4	Chemie (NQM)
3	F, G, I, K, M... (A, D, C, B)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL)
4	O, P, Q, R (A, D, C, B)	water	water		18.0	1516	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 66	Lys 66	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	4
	Total formula weight	151849.3
Non-Polymers*	Number of molecules	10
	Total formula weight	1021.2
All*	Total formula weight	152870.5

*Water molecules are not included.