2024-11-30_00000268
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ligand
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9H46
EGFR wild type in complex with 25328;
X-ray diffraction 3.16Å
Protein #1
328 residues (93% resolved)
Raw Sequence ...
MGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Canonical Sequence ...
MGEAPNQALLRILKETEFKKIKVLGSGAFGTVYKGLWIPEGEKVKIPVAIKELREATSPKANKEILDEAYVMASVDNPHVCRLLGICLTSTVQLITQLMPFGCLLDYVREHKDNIGSQYLLNWCVQIAKGMNYLEDRRLVHRDLAARNVLVKTPQHVKITDFGLAKLLGAEEKEYHAEGGKVPIKWMALESILHRIYTHQSDVWSYGVTVWELMTFGSKPYDGIPASEISSILEKGERLPQPPICTIDVYMIMVKCWMIDADSRPKFRELIIEFSKMARDPQRYLVIQGDERMHLPSPTDSNFYRALMDEEDMDDVVDADEYLIPQQG
Non polymer #2
A1ISA
InChI=1S/C22H20N4O2/c1-3-15-13-20(27)26(16-9-5-4-6-10-16)21-17(15)14-23-22(25-21)24-18-11-7-8-12-19(18)28-2/h4-14H,3H2,1-2H3,(H,23,24,25)
InChI=1S/C22H20N4O2/c1-3-15-13-20(27)26(16-9-5-4-6-10-16)21-17(15)14-23-22(25-21)24-18-11-7-8-12-19(18)28-2/h4-14H,3H2,1-2H3,(H,23,24,25)
SMILES: CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccccc3OC)c4ccccc4
CCC1=CC(=O)N(c2c1cnc(n2)Nc3ccccc3OC)c4ccccc4
Biounit #1
monomer
Download coordinates
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Model
Reference
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