3GJN

Following evolutionary paths to high affinity and selectivity protein-protein interactions using Colicin7 and Immunity proteins

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, D (A, D)	Colicin-E9 immunity protein	polymer	86	9644.5	2	UniProt (P13479)	Escherichia coli	ImmE9, Microcin-E9 immunity protein
2	B, C (B, C)	Colicin-E7	polymer	141	16230.4	2	UniProt (Q47112)	Escherichia coli
3	E, F (B, C)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	G, H, I (A, B, C)	water	water		18.0	15	Chemie (HOH)

Sequence modifications

A, D: 1001 - 1086 (UniProt: P13479)

PDB	External Database	Details
Asp 1024	Asn 24	engineered mutation
Glu 1026	Asp 26	engineered mutation
Ala 1027	Thr 27	engineered mutation
Thr 1028	Ser 28	engineered mutation
Asp 1034	Val 34	engineered mutation
Ile 1037	Val 37	engineered mutation
Trp 1055	Tyr 55	engineered mutation

B, C: 446 - 576 (UniProt: Q47112)

PDB	External Database	Details
Met 436	-	expression tag
His 437	-	expression tag
His 438	-	expression tag
His 439	-	expression tag
His 440	-	expression tag
His 441	-	expression tag
His 442	-	expression tag
Ser 443	-	expression tag
Met 444	-	expression tag
Gly 445	-	expression tag
Ala 545	His 545	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	51749.9
Non-Polymers*	Number of molecules	2
	Total formula weight	130.8
All*	Total formula weight	51880.8

*Water molecules are not included.