9IPA

Poly-alanine model for HL-type bispecific diabody Ex3 composed of 528 and OKT3 Fvs in ternary complex with sEGFR and CD3gamma-epsilon (open conformation)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Epidermal growth factor receptor	polymer	627	69496.1	1	UniProt (P00533) Pfam (PF01030) Pfam (PF00757) Pfam (PF14843)	Homo sapiens (human)	Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1
2	B (B)	HL-type bispecific diabody Ex3	polymer	527	56781.8	1		synthetic construct
3	C (C)	T-cell surface glycoprotein CD3 gamma chain,T-cell surface glycoprotein CD3 epsilon chain	polymer	204	22940.5	1	UniProt (P09693) UniProt (P07766) Pfam (PF16680) Pfam (PF16681)	Homo sapiens (human)	T-cell receptor T3 gamma chain,T-cell surface antigen T3/Leu-4 epsilon chain

Sequence modifications

A: 1 - 621 (UniProt: P00533)

PDB	External Database	Details
His 622	-	expression tag
His 623	-	expression tag
His 624	-	expression tag
His 625	-	expression tag
His 626	-	expression tag
His 627	-	expression tag

C: 1 - 81 (UniProt: P09693)

PDB	External Database	Details
Met 0	-	initiating methionine
Gly 82	-	linker
Ser 83	-	linker
Ala 84	-	linker
Asp 85	-	linker
Asp 86	-	linker
Ala 87	-	linker
Lys 88	-	linker
Lys 89	-	linker
Asp 90	-	linker
Ala 91	-	linker
Ala 92	-	linker
Lys 93	-	linker
Lys 94	-	linker
Asp 95	-	linker
Asp 96	-	linker
Ala 97	-	linker
Lys 98	-	linker
Lys 99	-	linker
Asp 100	-	linker
Asp 101	-	linker
Ala 102	-	linker
Lys 103	-	linker
Lys 104	-	linker
Asp 105	-	linker
Gly 106	-	linker
Ser 107	-	linker

C: 108 - 203 (UniProt: P07766)

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	149218.4
All*	Total formula weight	149218.4

*Water molecules are not included.