2026-02-28_00000024
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ligand
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9GHR
Crystal Structure of EGFR-WT in Complex with Covalent Compound 10n;
X-ray diffraction 2.10Å
Protein #1
333 residues (92% resolved)
Raw Sequence ...
GSHMASGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Canonical Sequence ...
GSHMASGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2
A1ILN
InChI=1S/C31H30N6O2/c1-2-29(38)36-16-8-7-10-23(20-36)37-28-13-6-5-12-26(28)34-31(37)35-30(39)21-14-15-33-27(17-21)25-19-32-18-22-9-3-4-11-24(22)25/h3-6,9,11-15,17-19,23H,2,7-8,10,16,20H2,1H3,(H,34,35,39)
InChI=1S/C31H30N6O2/c1-2-29(38)36-16-8-7-10-23(20-36)37-28-13-6-5-12-26(28)34-31(37)35-30(39)21-14-15-33-27(17-21)25-19-32-18-22-9-3-4-11-24(22)25/h3-6,9,11-15,17-19,23H,2,7-8,10,16,20H2,1H3,(H,34,35,39)
SMILES: CCC(=O)N1CCCC[C@H](C1)N\2c3ccccc3N/C2=N\C(=O)c4ccnc(c4)c5cncc6c5cccc6
CCC(=O)N1CCCC[C@H](C1)N\2c3ccccc3N/C2=N\C(=O)c4ccnc(c4)c5cncc6c5cccc6
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)
InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)
SMILES: C1COCC[NH+]1CCS(=O)(=O)[O-]
C1COCC[NH+]1CCS(=O)(=O)[O-]
Biounit #1
monomer
Download coordinates
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Model
Reference
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