7RBX

Crystal structure of isocitrate lyase and phosphorylmutase:isocitrate lyase from Brucella melitensis biovar Abortus 2308 bound to itaconic acid

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, B, C, D)	Isocitrase	polymer	450	49139.3	4	UniProt (Q2YQA0) Pfam (PF00463)	Brucella abortus (strain 2308)	Isocitratase,Isocitrate lyase
2	E, I, J, K, N... (A, C, D)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
3	F, L, O, R (A, B, C, D)	2-methylidenebutanedioic acid	non-polymer		130.1	4	Chemie (ITN)
4	G, M, P, Q (A, B, C, D)	MAGNESIUM ION	non-polymer		24.3	4	Chemie (MG)
5	H, S (A, D)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	U, V, W, X (A, B, C, D)	water	water		18.0	1590	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 429 (UniProt: Q2YQA0)

PDB	External Database	Details
Met -20	-	initiating methionine
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	196557.0
Non-Polymers*	Number of molecules	16
	Total formula weight	1182.2
All*	Total formula weight	197739.2

*Water molecules are not included.