4NWN

Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T32-28

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... (A, C, E, G, I...)	Uncharacterized protein	polymer	192	19928.2	12	UniProt (K8VQB8)	Campylobacter jejuni
2	B, D, F, H, J... (B, D, F, H, J...)	Propanediol utilization: polyhedral bodies pduT	polymer	159	17315.7	12	UniProt (A1W1R1) Pfam (PF10634) UniProt (by SIFTS) (A0A0H3PA01)	Salmonella enterica subsp. enterica serovar Typhimurium

Sequence modifications

A, C, E, G, I, K, M, O, Q, S, U, W: 1 - 184 (UniProt: K8VQB8)

PDB	External Database	Details
Ser 38	Cys 38	engineered mutation
Leu 114	Arg 114	engineered mutation
Leu 145	Ser 145	engineered mutation
Ala 148	Asn 148	engineered mutation
Ala 149	Asn 149	engineered mutation
Ala 152	Thr 152	engineered mutation
Thr 153	Val 153	engineered mutation
Leu 156	Glu 156	engineered mutation
Ala 157	Ser 157	engineered mutation
Ala 160	Glu 160	engineered mutation
Ala 167	Arg 167	engineered mutation
Ile 169	Val 169	engineered mutation
Leu 185	-	expression tag
Glu 186	-	expression tag
His 187	-	expression tag
His 188	-	expression tag
His 189	-	expression tag
His 190	-	expression tag
His 191	-	expression tag
His 192	-	expression tag

B, D, F, H, J, L, N, P, R, T, V, X: 2 - 159 (UniProt: A1W1R1)

PDB	External Database	Details
Met 1	-	expression tag
Ala 71	Glu 91	engineered mutation
Ala 73	Lys 93	engineered mutation
Ala 75	Thr 95	engineered mutation
Thr 82	Arg 102	engineered mutation
Thr 114	Asn 134	engineered mutation
Ala 116	Glu 136	engineered mutation
Leu 120	Tyr 140	engineered mutation
Val 147	Lys 167	engineered mutation
Thr 149	Asp 169	engineered mutation
Phe 151	Lys 171	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	24
	Total formula weight	446926.5
All*	Total formula weight	446926.5

*Water molecules are not included.