2026-02-28_00000028|ligand|9GHV

Crystal Structure of EGFR-WT in Complex with Covalent Compound 13; X-ray diffraction 2.50Å
Protein #1 333 residues (90% resolved)

GSHMASGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG

GSHMASGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2 A1ILI

InChI=1S/C30H32N8O3/c1-4-12-32-28(40)20-9-10-26-25(16-20)34-30(38(26)23-8-6-7-14-37(19-23)27(39)5-2)35-29(41)21-11-13-31-24(15-21)22-17-33-36(3)18-22/h1,9-11,13,15-18,23H,5-8,12,14,19H2,2-3H3,(H,32,40)(H,34,35,41)

CCC(=O)N1CCCC[C@H](C1)n2c3ccc(cc3nc2NC(=O)c4ccnc(c4)c5cnn(c5)C)C(=O)NCC#C
Non polymer #3 MES

InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

C1COCC[NH+]1CCS(=O)(=O)[O-]
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