2025-07-12_00000072
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ligand
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9FZS
Wild-type EGFR in complex with non-covalent poziotinib analogue;
X-ray diffraction 2.12Å
Protein #1
329 residues (98% resolved)
Raw Sequence ...
GPGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Canonical Sequence ...
GPGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2
A1IHD
InChI=1S/C22H20ClFN4O3/c1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-13-4-5-17(24)16(23)8-13/h3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27)/t14-/m1/s1
InChI=1S/C22H20ClFN4O3/c1-3-21(29)28-7-6-14(11-28)31-20-9-15-18(10-19(20)30-2)25-12-26-22(15)27-13-4-5-17(24)16(23)8-13/h3-5,8-10,12,14H,1,6-7,11H2,2H3,(H,25,26,27)/t14-/m1/s1
SMILES: COc1cc2c(cc1O[C@@H]3CCN(C3)C(=O)C=C)c(ncn2)Nc4ccc(c(c4)Cl)F
COc1cc2c(cc1O[C@@H]3CCN(C3)C(=O)C=C)c(ncn2)Nc4ccc(c(c4)Cl)F
Biounit #1
monomer
Download coordinates
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Model
Reference
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