8U8X

crystal structure of the receptor tyrosine kinase Human HER2 (ERBB2) YVMA mutant kinase domain in complex with inhibitor compound 27

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Receptor tyrosine-protein kinase erbB-2	polymer	348	39523.6	1	UniProt (P04626) Pfam (PF07714) In PDB	Homo sapiens (human)
2	A	1-{(1R,3r,5S)-3-[(3M)-4-methyl-3-{3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-8-azabicyclo[3.2.1]octan-8-yl}propan-1-one	non-polymer		535.6	1	Chemie (W9N)
3	A	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	1	Chemie (PEG)
4	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
5		water	water		18.0	261	Chemie (HOH)

Sequence modifications

A: 694 - 1033 (UniProt: P04626)

PDB	External Database	Details
Met 692	-	initiating methionine
Gly 693	-	cloning artifact
Tyr 776	-	insertion
Val 777	-	insertion
Met 778	-	insertion
Ala 779	-	insertion
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	39523.6
Non-Polymers*	Number of molecules	3
	Total formula weight	677.2
All*	Total formula weight	40200.8

*Water molecules are not included.