4NWQ

Computationally Designed Two-Component Self-Assembling Tetrahedral Cage, T33-21, Crystallized in Space Group F4132

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Putative uncharacterized protein PH0671	polymer	172	19316.6	1	UniProt (O58404) Pfam (PF01923)	Pyrococcus horikoshii
2	B (B)	Uncharacterized protein	polymer	131	14346.3	1	UniProt (Q9I2D8) Pfam (PF02962)	Pseudomonas aeruginosa
3	C, D, E, F, G... (A, B)	SULFATE ION	non-polymer		96.1	11	Chemie (SO4)
4	N, O (A, B)	water	water		18.0	16	Chemie (HOH)

Sequence modifications

A: 1 - 172 (UniProt: O58404)

PDB	External Database	Details
Ala 85	Lys 85	engineered mutation
Leu 88	Glu 88	engineered mutation
Lys 89	Gly 89	engineered mutation
Leu 92	Ser 92	engineered mutation
Met 95	Glu 95	engineered mutation
Leu 126	Glu 126	engineered mutation
Leu 130	Ala 130	engineered mutation
Thr 133	Leu 133	engineered mutation
Ala 140	Lys 140	engineered mutation
Ala 143	Leu 143	engineered mutation
Ala 144	Val 144	engineered mutation
Leu 147	Asn 147	engineered mutation
Ala 148	Arg 148	engineered mutation

B: 1 - 123 (UniProt: Q9I2D8)

PDB	External Database	Details
Lys 27	Ala 27	engineered mutation
Ile 74	Ala 74	engineered mutation
Thr 78	Gln 78	engineered mutation
Leu 79	Ala 79	engineered mutation
Ala 82	Glu 82	engineered mutation
Ala 86	Glu 86	engineered mutation
Glu 90	Gly 90	engineered mutation
Leu 112	Ala 112	engineered mutation
Leu 124	-	expression tag
Glu 125	-	expression tag
His 126	-	expression tag
His 127	-	expression tag
His 128	-	expression tag
His 129	-	expression tag
His 130	-	expression tag
His 131	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	33662.9
Non-Polymers*	Number of molecules	11
	Total formula weight	1056.7
All*	Total formula weight	34719.5

*Water molecules are not included.