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Crystal structure of the EGFR kinase domain (L858R, T790M, V948R) in complex with a covalent inhibitor N-[(3R,4R)-4-fluoro-1-{6-[(3-methoxy-1-methyl-1H-pyrazol-4-yl)amino]-9-methyl-9H-purin-2-yl}pyrrolidin-3-yl]propanamide

X-ray diffraction
1.58Å resolution
PDB entry 5ugc coloured by chain, front view.
PDB entry 5ugc coloured by chain, side view.
PDB entry 5ugc coloured by chain, top view.
Source organism: Homo sapiens
Assembly composition:
monomeric (preferred)
Entry contents: 1 distinct polypeptide molecule

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Assemblies

Assembly 1 (preferred)
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Assembly Name: Epidermal growth factor receptor
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Multimeric state: monomeric
Accessible surface area: 14086.38 Å2
Buried surface area: 1084.8 Å2
Dissociation area: 96.34 Å2
Dissociation energy (ΔGdiss): -2.04 kcal/mol
Dissociation entropy (TΔSdiss): -0.27 kcal/mol
Symmetry number: 1
PDBe Complex ID: PDB-CPX-132671

Macromolecules

Epidermal growth factor receptor
Chain: A
Length: 329 amino acids
Theoretical weight: 37.58 KDa
Source organism: Homo sapiens
Expression system: Spodoptera aff. frugiperda 2 RZ-2014
UniProt:
  • Canonical: P00533 (Residues: 695-1022; Coverage: 28%)
Gene names: EGFR, ERBB, ERBB1, HER1
Pfam: Protein tyrosine and serine/threonine kinase
InterPro:
CATH:
Epidermal growth factor receptor in PDB entry 5ugc, assembly 1, front view.
Epidermal growth factor receptor in PDB entry 5ugc, assembly 1, side view.
Epidermal growth factor receptor in PDB entry 5ugc, assembly 1, top view.
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