5U5F

MEDITOPE ENABLED TRASTUZUMAB I83E VARIANT IN COMPLEX WITH (Ac) CQFDA(PH)2STRRLRCGGSK

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	MEMAB TRASTUZUMAB FAB LIGHT CHAIN I83E	polymer	214	23518.0	1		Homo sapiens
2	B (B)	MEMAB TRASTUZUMAB FAB HEAVY CHAIN	polymer	223	23774.6	1		Homo sapiens
3	C (E)	Protein L	polymer	65	6994.7	1	UniProt (Q51918) Pfam (PF02246)	Finegoldia magna (Peptostreptococcus magnus)
4	D (D)	5-DIPHENYL LONG MEDITOPE	polymer	17	1967.3	1		synthetic construct
5	E (C)	Immunoglobulin G binding protein A	polymer	54	6037.5	1	UniProt (Q2UW42) Pfam (PF02216) UniProt (by SIFTS) (P02976)	Staphylococcus aureus
6	F (B)	MESO-ERYTHRITOL	non-polymer		122.1	1	Chemie (MRY)
7	G, H, I, J, K (A, B, E, D, C)	water	water		18.0	798	Chemie (HOH)

Sequence modifications

E: 21 - 81 (UniProt: Q51918)

PDB	External Database	Details
Ser 17	-	expression tag
Gly 18	-	expression tag
Ser 19	-	expression tag
Glu 20	-	expression tag
Ile 34	Thr 490	engineered mutation
Ala 55	Asp 511	engineered mutation
Asn 73	Tyr 529	engineered mutation
His 74	Thr 530	engineered mutation
Met 75	Ile 531	engineered mutation

C: 4 - 54 (UniProt: Q2UW42)

PDB	External Database	Details
Gly 1	-	expression tag
Ser 2	-	expression tag
Tyr 3	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	5
	Total formula weight	62292.2
Non-Polymers*	Number of molecules	1
	Total formula weight	122.1
All*	Total formula weight	62414.3

*Water molecules are not included.