6B3S

Crystal structure of the Fab fragment of necitumumab (Fab11F8) in complex with domain III from a cetuximab resistant variant of EGFR (sEGFRd3-S468R)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, E, I	Epidermal growth factor receptor	polymer	214	23856.2	4	UniProt (P00533) Pfam (PF01030) In PDB	Homo sapiens (Human)	Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1
2	H, C, F, J	Necitumumab Fab Heavy chain	polymer	222	23547.3	4		Homo sapiens (Human)
3	L, D, G, K	Necitumumab Fab Light chain	polymer	213	23053.6	4		Homo sapiens (Human)
4	M, O, Q, S, T	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		424.4	5	In PDB GlyTouCan (G42666HT)
5	N	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	1	In PDB GlyTouCan (G15407YE)
6	P, R	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		748.7	2	In PDB GlyTouCan (G81315DD)
7	I, A, B, E	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	7	Chemie (NAG)
8		water	water		18.0	69	Chemie (HOH)

Sequence modifications

A, B, E, I: 311 - 514 (UniProt: P00533)

PDB	External Database	Details
Leu 307	-	expression tag
Glu 308	-	expression tag
Glu 309	-	expression tag
Lys 310	-	expression tag
Arg 468	Ser 492	engineered mutation
His 515	-	expression tag
His 516	-	expression tag
His 517	-	expression tag
His 518	-	expression tag
His 519	-	expression tag
His 520	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	281828.4
Branched	Number of molecules	8
	Total formula weight	4205.9
Non-Polymers*	Number of molecules	7
	Total formula weight	1548.5
All*	Total formula weight	287582.7

*Water molecules are not included.