2026-02-28_00000027
|
ligand
|
9GHU
Crystal Structure of EGFR-WT in Complex with Covalent Compound 10f;
X-ray diffraction 2.25Å
Protein #1
333 residues (91% resolved)
Raw Sequence ...
GSHMASGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Canonical Sequence ...
GSHMASGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2
A1ILK
InChI=1S/C27H31N7O2/c1-4-25(35)33-14-8-7-9-20(16-33)34-24-11-6-5-10-22(24)29-27(34)30-26(36)19-12-13-28-23(15-19)21-17-32(3)31-18(21)2/h5-6,10-13,15,17,20H,4,7-9,14,16H2,1-3H3,(H,29,30,36)
InChI=1S/C27H31N7O2/c1-4-25(35)33-14-8-7-9-20(16-33)34-24-11-6-5-10-22(24)29-27(34)30-26(36)19-12-13-28-23(15-19)21-17-32(3)31-18(21)2/h5-6,10-13,15,17,20H,4,7-9,14,16H2,1-3H3,(H,29,30,36)
SMILES: CCC(=O)N1CCCC[C@H](C1)N\2c3ccccc3N/C2=N\C(=O)c4ccnc(c4)c5cn(nc5C)C
CCC(=O)N1CCCC[C@H](C1)N\2c3ccccc3N/C2=N\C(=O)c4ccnc(c4)c5cn(nc5C)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)
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
Tube
Model
Reference
100%