Brand  (β version)

PDB ID: 3RCD

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Ligands
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03P N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5h-pyrrolo[3,2-D]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide PoSSuM
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Structure summary

Code : 3RCD   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : HER2 Kinase Domain Complexed with TAK-285
Release Data : 2011-11-23
Compound :
mol_id molecule chains synonym
1 Receptor tyrosine-protein kinase erbB-2 A,B,C,D Metastatic lymph node gene 19 protein, MLN 19, Proto-oncogene Neu, Proto-oncogene c-ErbB-2, Tyrosine kinase-type cell surface receptor HER2, p185erbB2
ec: 2.7.10.1
fragment: UNP residues 713-1028
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: ERBB2, HER2, MLN19, NEU, NGL
expression_system_common: Fall armyworm
expression_system_vector_type: Baculovirus
Authors : Aertgeerts, K., Skene, R., Sogabe, S.
Keywords : KINASE DOMAIN, RECEPTOR, TRANSFERASE, TYROSINE-PROTEIN KINASE, TYROSINE KINASE INHIBITOR, TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX, ANTI-ONCOGENE, CELL CYCLE, DISEASE, MUTATION, ATP-BINDING, NUCLEOTIDE-BINDING, GLYCOPROTEIN, PHOSPHOPROTEIN, MEMBRANE, SECRETED
Exp. method : X-RAY DIFFRACTION ( 3.21 Å )
Citation :

Design and Synthesis of Novel Human Epidermal Growth Factor Receptor 2 (HER2)/Epidermal Growth Factor Receptor (EGFR) Dual Inhibitors Bearing a Pyrrolo[3,2-d]pyrimidine Scaffold.

Ishikawa, T.,Seto, M.,Banno, H.  et al.
(2011)  J.Med.Chem.  54 : 8030 - 8050

PubMed: 22003817
DOI: 10.1021/jm2008634

Reaction

Chain : A, B, C, D
UniProt : P04626 (ERBB2_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-tyrosyl-[protein] = ADP + H(+) + O-phospho-L-tyrosyl- [protein] 2.7.10.1 PROSITE-ProRule:PRU10028, PubMed:21454582
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