3RIJ

Epitope backbone grafting by computational design for improved presentation of linear epitopes on scaffold proteins

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 (A, B, C, D)	SC_2cx5	polymer	165	17348.7	4	UniProt (Q5SHN1) Pfam (PF04073)	Thermus thermophilus
2	E (C)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
3	F, G, H, I (A, B, C, D)	water	water		18.0	449	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 84 (UniProt: Q5SHN1)

PDB	External Database	Details
Tyr 54	Phe 54	engineered mutation
Gly 55	Val 55	engineered mutation

A, B, C, D: 95 - 158 (UniProt: Q5SHN1)

PDB	External Database	Details
Asp 99	Ala 99	engineered mutation
Ala 100	Ile 100	engineered mutation
Leu 159	-	insertion
Glu 160	-	insertion
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	69394.9
Non-Polymers*	Number of molecules	1
	Total formula weight	92.1
All*	Total formula weight	69487.0

*Water molecules are not included.