Structure of PDB 8to4 Chain D Binding Site BS01

Receptor Information
>8to4 Chain D (length=283) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREAT
SPKKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVR
EHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKI
TDFGVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPAS
EISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKM
ARDPQRYLVIQGDERMHLSPTDSNFYRALMDEE
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain8to4 Chain D Residue 1101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8to4 EGFR(T790M/V948R) in complex with the allosteric inhibitor FRF-06-057
Resolution2.99 Å
Binding residue
(original residue number in PDB)		N842 D855
Binding residue
(residue number reindexed from 1)		N139 D152
Annotation score1
External links
PDB RCSB:8to4, PDBe:8to4, PDBj:8to4
PDBsum8to4
PubMed
UniProtP00533|EGFR_HUMAN Epidermal growth factor receptor (Gene Name=EGFR)

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