4NWO

Computationally Designed Two-Component Self-Assembling Tetrahedral Cage T33-15

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Molybdenum cofactor biosynthesis protein MogA	polymer	177	19049.1	1	UniProt (Q8EKM7) Pfam (PF00994)	Shewanella oneidensis
2	B (B)	Chorismate mutase AroH	polymer	130	14514.6	1	UniProt (Q84FH6) Pfam (PF07736) UniProt (by SIFTS) (Q5SJY4)	Thermus thermophilus
3	C (A)	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
4	D, E (A, B)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A: 1 - 177 (UniProt: Q8EKM7)

PDB	External Database	Details
Thr 20	Tyr 20	engineered mutation
Ala 21	Glu 21	engineered mutation
Leu 30	Asp 30	engineered mutation
Ala 31	Thr 31	engineered mutation
Leu 34	Asp 34	engineered mutation
Glu 110	Phe 110	engineered mutation
Asp 135	Lys 135	engineered mutation
Ala 137	Lys 137	engineered mutation
Ser 140	Arg 140	engineered mutation
Asp 141	Glu 141	engineered mutation
Leu 144	Asp 144	engineered mutation
Met 168	Val 168	engineered mutation

B: 1 - 122 (UniProt: Q84FH6)

PDB	External Database	Details
Asn 12	Glu 12	engineered mutation
Ser 13	Glu 13	engineered mutation
Thr 17	Glu 17	engineered mutation
Ser 18	Ala 18	engineered mutation
Ile 20	His 20	engineered mutation
Ile 21	Gln 21	engineered mutation
Ile 24	Arg 24	engineered mutation
Leu 25	Glu 25	engineered mutation
Glu 28	Leu 28	engineered mutation
Ser 109	Arg 109	engineered mutation
Leu 123	-	expression tag
Glu 124	-	expression tag
His 125	-	expression tag
His 126	-	expression tag
His 127	-	expression tag
His 128	-	expression tag
His 129	-	expression tag
His 130	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	33563.7
Non-Polymers*	Number of molecules	1
	Total formula weight	40.1
All*	Total formula weight	33603.8

*Water molecules are not included.