4NWR

Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-28

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C, E, G, I...	integron gene cassette protein	polymer	158	17789.0	48	UniProt (B0BGB0) In PDB	uncultured bacterium
2	B, D, F, H, J...	Macrophage migration inhibitory factor-like protein	polymer	121	13517.7	48	UniProt (Q4Q413) Pfam (PF01187) In PDB	Leishmania major

Sequence modifications

A, C, E, G, I, K, M, O, Q, S, U, W, Y, a, c, e, g, i, k, m, o, q, s, u, w, y, 0, 2, 4, 6, 8, AA, AC, AE, AG, AI, AK, AM, AO, AQ, AS, AU, AW, AY, BA, BC, BE, BG: 1 - 158 (UniProt: B0BGB0)

PDB	External Database	Details
Ile 49	Lys 49	engineered mutation
Ala 53	Asp 53	engineered mutation
Ile 56	Gln 56	engineered mutation
Phe 57	Ser 57	engineered mutation
Leu 58	Ile 58	engineered mutation
Asp 64	Phe 64	engineered mutation
Glu 109	Leu 109	engineered mutation
Leu 112	Glu 112	engineered mutation
Ala 113	Lys 113	engineered mutation
Val 116	Ala 116	engineered mutation

B, D, F, H, J, L, N, P, R, T, V, X, Z, b, d, f, h, j, l, n, p, r, t, v, x, z, 1, 3, 5, 7, 9, AB, AD, AF, AH, AJ, AL, AN, AP, AR, AT, AV, AX, AZ, BB, BD, BF, BH: 1 - 113 (UniProt: Q4Q413)

PDB	External Database	Details
Leu 114	-	expression tag
Glu 115	-	expression tag
His 116	-	expression tag
His 117	-	expression tag
His 118	-	expression tag
His 119	-	expression tag
His 120	-	expression tag
His 121	-	expression tag
Leu 18	Glu 18	engineered mutation
Leu 19	Asn 19	engineered mutation
Ile 22	Gln 22	engineered mutation
Ile 23	Val 23	engineered mutation
Ile 26	Ala 26	engineered mutation
Val 30	Asp 30	engineered mutation
Ala 87	Lys 87	engineered mutation
Val 88	Glu 88	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	96
	Total formula weight	1502719.4
All*	Total formula weight	1502719.4

*Water molecules are not included.