8VB5

Crystal structure of kinase domain of HER2 Exon 20 insertion mutant in complex with tucatinib

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Receptor tyrosine-protein kinase erbB-2	polymer	342	38693.6	1	UniProt (P04626) Pfam (PF07714)	Homo sapiens (human)	Metastatic lymph node gene 19 protein,MLN 19,Proto-oncogene Neu,Proto-oncogene c-ErbB-2,Tyrosine kinase-type cell surface receptor HER2,p185erbB2
2	B (A)	Tucatinib	non-polymer		480.5	1	Chemie (A1AAC)
3	C, D, E, F, G... (A)	1,2-ETHANEDIOL	non-polymer		62.1	6	Chemie (EDO)
4	I (A)	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5	J (A)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
6	K (A)	water	water		18.0	244	Chemie (HOH)

Sequence modifications

A: 703 - 1029 (UniProt: P04626)

PDB	External Database	Details
Met 702	-	initiating methionine
Ala 706	Met 706	conflict
Leu 711	Gln 711	conflict
Leu 712	Met 712	conflict
Ala 771	-	insertion
Tyr 772	-	insertion
Val 773	-	insertion
Met 774	-	insertion
Ala 1030	-	expression tag
Ala 1031	-	expression tag
Ala 1032	-	expression tag
Ser 1033	-	expression tag
His 1034	-	expression tag
His 1035	-	expression tag
His 1036	-	expression tag
His 1037	-	expression tag
His 1038	-	expression tag
His 1039	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	38693.6
Non-Polymers*	Number of molecules	9
	Total formula weight	994.5
All*	Total formula weight	39688.1

*Water molecules are not included.