3RCD

HER2 Kinase Domain Complexed with TAK-285

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D (A, B, C, D)	Receptor tyrosine-protein kinase erbB-2	polymer	338	38229.0	4	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	E, F (A, C)	N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide	non-polymer		548.0	2	Chemie (03P)
3	G, H, I, J (A, B, C, D)	water	water		18.0	34	Chemie (HOH)

Sequence modifications

A, B, C, D: 713 - 1028 (UniProt: P04626)

PDB	External Database	Details
Met 702	-	expression tag
Ser 703	-	expression tag
Gly 704	-	expression tag
Ala 705	-	expression tag
Ala 706	-	expression tag
Pro 707	-	expression tag
Asn 708	-	expression tag
Gln 709	-	expression tag
Ala 710	-	expression tag
Leu 711	-	expression tag
Leu 712	-	expression tag
Gly 1029	-	expression tag
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	4
	Total formula weight	152916.0
Non-Polymers*	Number of molecules	2
	Total formula weight	1095.9
All*	Total formula weight	154012.0

*Water molecules are not included.