8DA5

Coevolved affibody-Z domain pair LL1.c4

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Immunoglobulin G-binding protein A	polymer	67	7864.7	1	UniProt (P38507) Pfam (PF02216) UniProt (by SIFTS) (P02976)	Staphylococcus aureus	IgG-binding protein A,Staphylococcal protein A,SpA
2	B (C)	Immunoglobulin G-binding protein A	polymer	67	7918.8	1	UniProt (P38507) Pfam (PF02216) UniProt (by SIFTS) (P02976)	Staphylococcus aureus	IgG-binding protein A,Staphylococcal protein A,SpA
3	C (B)	affibody LL1.FIVM	polymer	67	7715.7	1		synthetic construct
4	D (D)	affibody LL1.FIVM	polymer	67	7743.8	1		synthetic construct
5	E (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	F, G, H, I (A, C, B, D)	water	water		18.0	379	Chemie (HOH)

Sequence modifications

A: 1 - 58 (UniProt: P38507)

PDB	External Database	Details
Lal 0	-	expression tag
Val 1	Ala 212	conflict
Phe 9	Gln 220	engineered mutation
Ile 13	Phe 224	engineered mutation
Ala 29	Gly 240	engineered mutation
Phe 31	Ile 242	engineered mutation
Leu 59	-	expression tag
Glu 60	-	expression tag
His 61	-	expression tag
His 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag

C: 1 - 58 (UniProt: P38507)

PDB	External Database	Details
Lal 0	-	expression tag
Val 1	Ala 212	conflict
Phe 9	Gln 220	engineered mutation
Ile 13	Phe 224	engineered mutation
Ala 29	Gly 240	engineered mutation
Phe 31	Ile 242	engineered mutation
Leu 59	-	expression tag
Glu 60	-	expression tag
His 61	-	expression tag
His 62	-	expression tag
His 63	-	expression tag
His 64	-	expression tag
His 65	-	expression tag
His 66	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	31243.0
Non-Polymers*	Number of molecules	1
	Total formula weight	92.1
All*	Total formula weight	31335.1

*Water molecules are not included.