8SZZ

CryoEM Structure of Computationally Designed Nanocage O32-ZL4

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, KA... (0, 1, 2, 3, P...)	O32-ZL4 Component A	polymer	76	8766.5	24		synthetic construct
2	AA, BA, CA, DA, E... (I, J, K, L, M...)	O32-ZL4 Component B	polymer	213	23170.2	24	UniProt (Q9WXS1) Pfam (PF01081)	Thermotoga maritima
3	AB, BB, CB, DB, EB... (M, N, O, U, Y...)	SODIUM ION	non-polymer		23.0	24	Chemie (NA)

Sequence modifications

I, J, K, L, M, N, O, U, Y, Z, a, b, c, d, e, f, g, h, i, j, k, l, m, n: -1 - 203 (UniProt: Q9WXS1)

PDB	External Database	Details
Asp 18	Ser 20	conflict
Ala 19	Val 21	conflict
Gln 20	Glu 22	conflict
Arg 23	Lys 25	conflict
Asn 45	Asp 47	conflict
Ala 47	Asp 49	conflict
Ala 48	Thr 50	conflict
Leu 51	Lys 53	conflict
Leu 52	Glu 54	conflict
Glu 71	Val 73	conflict
Ala 75	Arg 77	conflict
Leu 76	Lys 78	conflict
Leu 79	Glu 81	conflict
Leu 204	-	expression tag
Glu 205	-	expression tag
His 206	-	expression tag
His 207	-	expression tag
His 208	-	expression tag
His 209	-	expression tag
His 210	-	expression tag
His 211	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	48
	Total formula weight	766478.7
Non-Polymers*	Number of molecules	24
	Total formula weight	551.8
All*	Total formula weight	767030.4

*Water molecules are not included.