8DA3

Coevolved affibody-Z domain pair LL1.c1

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	7944.8	1	UniProt (P38507) Pfam (PF02216) UniProt (by SIFTS) (P02976)	Staphylococcus aureus	IgG-binding protein A,Staphylococcal protein A,SpA
2	B (B)	Affibody LL1.FILF	polymer	67	7745.7	1		synthetic construct
3	C (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
4	D, E (B)	MALONATE ION	non-polymer		102.0	2	Chemie (MLI)
5	F, G (A, B)	water	water		18.0	153	Chemie (HOH)

Sequence modifications

A: 2 - 58 (UniProt: P38507)

PDB	External Database	Details
Ala 0	-	expression tag
Val 1	-	expression tag
Leu 9	Gln 220	engineered mutation
Ile 13	Phe 224	engineered mutation
Phe 17	Leu 228	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	2
	Total formula weight	15690.5
Non-Polymers*	Number of molecules	3
	Total formula weight	300.2
All*	Total formula weight	15990.7

*Water molecules are not included.