5IM4

Crystal structure of designed two-component self-assembling icosahedral cage I52-32

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E, C, B, D...	6,7-dimethyl-8-ribityllumazine synthase	polymer	162	18101.1	20	UniProt (A0A0A3CUI3) In PDB	Candida albicans P37005	DMRL synthase
2	F, H, G, I, J...	Phosphotransferase system, mannose/fructose-specific component IIA	polymer	138	15164.0	20	UniProt (Q8RD55) Pfam (PF03610) In PDB	Caldanaerobacter subterraneus subsp. tengcongensis (strain DSM 15242 / JCM 11007 / NBRC 100824 / MB4)

Sequence modifications

A, E, C, B, D, K, L, N, M, O, U, V, X, W, Y, e, f, h, g, i: 12 - 164 (UniProt: A0A0A3CUI3)

PDB	External Database	Details
Met 11	-	expression tag
Leu 29	Arg 71	engineered mutation
Glu 30	Lys 72	engineered mutation
Ala 33	Asp 75	engineered mutation
Ile 40	Val 82	engineered mutation
Ala 50	Glu 92	engineered mutation
Leu 165	-	expression tag
Glu 166	-	expression tag
His 167	-	expression tag
His 168	-	expression tag
His 169	-	expression tag
His 170	-	expression tag
His 171	-	expression tag
His 172	-	expression tag

F, H, G, I, J, P, Q, S, R, T, b, d, c, Z, a, j, k, m, l, n: 1 - 136 (UniProt: Q8RD55)

PDB	External Database	Details
Met -1	-	expression tag
Gly 0	-	expression tag
Lys 45	Val 45	engineered mutation
Ala 47	Arg 47	engineered mutation
Met 51	Glu 51	engineered mutation
Arg 52	Lys 52	engineered mutation
Ile 55	Lys 55	engineered mutation
Ala 56	Glu 56	engineered mutation
Ala 59	Gln 59	engineered mutation
Glu 81	Ser 81	engineered mutation
Thr 85	Glu 85	engineered mutation
Phe 86	Tyr 86	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	40
	Total formula weight	665301.8
All*	Total formula weight	665301.8

*Water molecules are not included.