5U5M

CRYSTAL STRUCTURE OF I83E MEDITOPE-ENABLED TRASTUZUMAB WITH AZIDO-MEDITOPE

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	MEMAB TRASTUZUMAB, LIGHT CHAIN	polymer	214	23518.0	1		Homo sapiens (HUMAN)
2	B	MEMAB TRASTUZUMAB, HEAVY CHAIN	polymer	223	23774.6	1		Homo sapiens (HUMAN)
3	E	Protein L	polymer	63	6850.6	1	UniProt (Q51918) Pfam (PF02246) In PDB	Finegoldia magna (Peptostreptococcus magnus)
4	C	Immunoglobulin G binding protein A	polymer	54	6037.5	1	UniProt (Q2UW42) Pfam (PF02216) UniProt (by SIFTS) (P02976) In PDB	Staphylococcus aureus
5	D	AZIDO-PEG4-MEDITOPE	polymer	13	1838.1	1		synthetic construct
6	B	MESO-ERYTHRITOL	non-polymer		122.1	1	Chemie (MRY)
7		water	water		18.0	732	Chemie (HOH)

Sequence modifications

E: 21 - 81 (UniProt: Q51918)

PDB	External Database	Details
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	62018.9
Non-Polymers*	Number of molecules	1
	Total formula weight	122.1
All*	Total formula weight	62141.0

*Water molecules are not included.