EGFR (L858R, T790M, V948R) in complex with N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)oxy]phenyl}prop-2-enamide. Determined by X-ray diffraction at 1.52 Å resolution. Released 3 Feb 2016.
Explore 5HG5 in 3D Show helices and sheets RCSB PDB PDBe
5HG5 contains 24 α-helices and 16 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.
| Element | Residues | Length | Sheet |
|---|---|---|---|
| α-helix | 704 | 1 | |
| β-strand | 705-706 | 2 | 1 |
| α-helix | 707-708 | 2 | |
| β-strand | 712-721 | 10 | 1 |
| β-strand | 724-731 | 8 | 1 |
| β-strand | 740-747 | 8 | 1 |
| α-helix | 748-750 | 3 | |
| α-helix | 753-755 | 3 | |
| α-helix | 756-767 | 12 | |
| β-strand | 774 | 1 | 2 |
| α-helix | 775-776 | 2 | |
| β-strand | 777-782 | 6 | 1 |
| β-strand | 786-791 | 6 | 1 |
| β-strand | 797 | 1 | 2 |
| α-helix | 798-805 | 8 | |
| α-helix | 806-808 | 3 | |
| α-helix | 811-830 | 20 | |
| β-strand | 833-834 | 2 | 3 |
| α-helix | 840-842 | 3 | |
| β-strand | 843-847 | 5 | 2 |
| β-strand | 850-853 | 4 | 2 |
| β-strand | 860-861 | 2 | 3 |
| α-helix | 862-863 | 2 | |
| β-strand | 869-870 | 2 | 4 |
| α-helix | 878-880 | 3 | |
| α-helix | 883-888 | 6 | |
| β-strand | 890-891 | 2 | 4 |
| α-helix | 893-908 | 16 | |
| α-helix | 912-913 | 2 | |
| α-helix | 920-922 | 3 | |
| α-helix | 923-928 | 6 | |
| α-helix | 933-936 | 4 | |
| β-strand | 939 | 1 | 5 |
| α-helix | 941-949 | 9 | |
| α-helix | 955-957 | 3 | |
| α-helix | 959-960 | 2 | |
| α-helix | 961-972 | 12 | |
| α-helix | 975-978 | 4 | |
| β-strand | 979 | 1 | 5 |
| α-helix | 984-986 | 3 |
| Molecule | Chains | Type | Length | Organism | UniProt |
|---|---|---|---|---|---|
| Epidermal growth factor receptor | A | protein | 329 | Homo sapiens | P00533 (AlphaFold model) |
>5HG5_1 Epidermal growth factor receptor (chains A) GSGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSP KANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLIMQLMPFGCLLDYVREHKDNIGSQY LLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGRAKLLGAEEKEYHAEG GKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERL PQPPICTIDVYMIMRKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPT DSNFYRALMDEEDMDDVVDADEYLIPQQG
| ID | Name | Formula | Copies |
|---|---|---|---|
| 633 | N-{3-[(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4… | C26 H29 N7 O2 | 1 |
Water and common crystallization additives (SO4, GOL) are not listed.
Discovery of 1-{(3R,4R)-3-[({5-Chloro-2-[(1-methyl-1H-pyrazol-4-yl)amino]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}oxy)methyl]-4-methoxypyrrolidin-1-yl}prop-2-en-1-one (PF-06459988), a Potent, WT Sparing, Irreversible Inhibitor of T790M-Containing EGFR Mutants. Cheng, H., Nair, S.K., Murray, B.W. et al. J Med Chem (2016) 59:2005-2024. DOI 10.1021/acs.jmedchem.5b01633 · PubMed
Other PDB entries of the same protein (UniProt P00533 (AlphaFold model), which also has an AlphaFold model), best resolution first:
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