5IM5

Crystal structure of designed two-component self-assembling icosahedral cage I53-40

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	K, M, O, Q, S...	Designed Riboflavin synthase	polymer	156	17249.4	15	UniProt (Q58584) Pfam (PF00885) In PDB	Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440)
2	P, T, N, V, W...	Designed Keto-hydroxyglutarate-aldolase/keto-deoxy-phosphogluconate aldolase	polymer	219	23150.7	15	UniProt (A5KUH7) Pfam (PF01081) In PDB	Vibrionales bacterium (strain SWAT-3)

Sequence modifications

K, M, O, Q, S, A, B, C, D, E, F, G, H, I, J: 1 - 156 (UniProt: Q58584)

PDB	External Database	Details
Ala 20	Ile 20	engineered mutation
Leu 23	Lys 23	engineered mutation
Thr 24	Lys 24	engineered mutation
Met 27	Glu 27	engineered mutation
Glu 28	Leu 28	engineered mutation
Ala 109	Lys 109	engineered mutation
Lys 112	Asp 112	engineered mutation
Ile 113	Trp 113	engineered mutation
Ala 116	Lys 116	engineered mutation
Ile 120	Glu 120	engineered mutation
Leu 124	Glu 124	engineered mutation

P, T, N, V, W, U, Y, Z, X, 2, 4, 1, L, R, 3: 1 - 209 (UniProt: A5KUH7)

PDB	External Database	Details
Ser 47	Asp 47	engineered mutation
Lys 51	Glu 51	engineered mutation
Met 54	Arg 54	engineered mutation
Ser 58	Gln 58	engineered mutation
Val 74	Glu 74	engineered mutation
Ile 102	Glu 102	engineered mutation
Gly 210	-	expression tag
Ser 211	-	expression tag
Leu 212	-	expression tag
Glu 213	-	expression tag
His 214	-	expression tag
His 215	-	expression tag
His 216	-	expression tag
His 217	-	expression tag
His 218	-	expression tag
His 219	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	30
	Total formula weight	606001.6
All*	Total formula weight	606001.6

*Water molecules are not included.