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Crystal structure of EGFR T790M/V948R in complex with covalent pyrrolopyrimidine 21A

Analyse Crystal structure of EGFR T790M/V948R in complex with covalent… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TG0
Type
protein
Length
543 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P00533
Ligands
N78, SO4

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein267—P00533
B—protein276—P00533

Ligands and binding sites

  • N78 · ~{N}-[5-[4-[[4-[[1,3-bis(oxidanylidene)isoindol-2-yl]methyl]phenyl]amino]-7~{H}-pyrrolo[2,3-d]pyrimidin-5-yl]-2-(2-hydroxyethyloxy)phenyl]propanamide · ligand · 2 copies · chains A, B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Compared structures

  • 6TG0 · Crystal Structure of EGFR T790M/V948R in Complex with Covalent Pyrrolopyrimidine 21a · the same entry in another collection · chain A against A, TM-score 1.00
  • P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain A against A, TM-score 0.96

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