Brand  (β version)

PDB ID: 6P1L

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Ligands
Code Name Style Show Link
MG Magnesium ion PoSSuM
ANP Phosphoaminophosphonic acid-adenylate ester PoSSuM
9LL (2r)-2-(5-fluoro-2-hydroxyphenyl)-2-(1-oxo-1,3-dihydro-2h-isoindol-2-yl)-N-(1,3-thiazol-2-yl)acetamide PoSSuM
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Structure summary

Code : 6P1L   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE Inhibitor
Title : Crystal structure of EGFR in complex with EAI045
Release Data : 2019-12-18
Compound :
mol_id molecule chains synonym
1 Epidermal growth factor receptor A,B,C,D Proto-oncogene c-ErbB-1,Receptor tyrosine-protein kinase erbB-1
ec: 2.7.10.1
mutation: T790M, V948R
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: EGFR, ERBB, ERBB1, HER1
expression_system_vector_type: plasmid
expression_system_plasmid: pEX
Authors : Heppner, D.E., Eck, M.J.
Keywords : egfr, allosteric inhibitor, TRANSFERASE, TRANSFERASE-TRANSFERASE Inhibitor complex
Exp. method : X-RAY DIFFRACTION ( 2.8000 Å )
Citation :

Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.

De Clercq, D.J.H.,Heppner, D.E.,To, C.  et al.
(2019)  Acs Med.Chem.Lett.  10 : 1549 - 1553

PubMed: 31749909
DOI: 10.1021/acsmedchemlett.9b00381

Reaction

Chain : A, B, C, D
UniProt : P00533 (EGFR_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:15374980, PubMed:17349580, PubMed:18046415, PubMed:18227510, PubMed:19560417, PubMed:19563760
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