Structure of PDB 6p8q Chain A Binding Site BS03

Receptor Information

>6p8q Chain A (length=309) Species: 9606 (Homo sapiens)

PNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELR
EATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCL
LDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTP
QHVKITDFGLAKLLGVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTF
GSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMRKCWMIDADSRPK
FRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDV
VDADEYLIP

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6p8q Chain A Residue 2003

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6p8q Discovery and Optimization of Dibenzodiazepinones as Allosteric Mutant-Selective EGFR Inhibitors.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): G721 F723 K745
• Binding residue (residue number reindexed from 1): G23 F25 K47
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D837 R841 N842 D855
• Catalytic site (residue number reindexed from 1): D139 R143 N144 D157
• Enzyme Commision number: 2.7.10.1: receptor protein-tyrosine kinase.

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004713 protein tyrosine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:6p8q, PDBe:6p8q, PDBj:6p8q
• PDBsum: 6p8q
• PubMed: 31749909
• UniProt: P00533|EGFR_HUMAN Epidermal growth factor receptor (Gene Name=EGFR)