Kinase domain of insulin receptor complexed with a pyrrolo pyridine inhibitor

Summary for 3ETA

Descriptorinsulin receptor, kinase domain, 1-(3-{5-[4-(aminomethyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl}phenyl)-3-(2-phenoxyphenyl)urea (3 entities in total)
Functional Keywordsatp-binding, carbohydrate metabolism, cleavage on pair of basic residues, diabetes mellitus, disease mutation, glycoprotein, kinase, membrane, nucleotide-binding, phosphoprotein, receptor, transferase, transmembrane, tyrosine-protein kinase, signaling protein
Biological sourceHomo sapiens (human)
Cellular locationMembrane; Single-pass type I membrane protein P06213
Total number of polymer chains2
Total molecular weight73363.77
Patnaik, S.,Stevens, K.,Gerding, R.,Deanda, F.,Shotwell, B.,Tang, J.,Hamajima, T.,Nakamura, H.,Leesnitzer, A.,Hassell, A.,Shewchuk, L.,Kumar, R.,Lei, H.,Chamberlain, S. (deposition date: 2008-10-07, release date: 2009-05-26, Last modification date: 2011-07-13)
Primary citation
Patnaik, S.,Stevens, K.L.,Gerding, R.,Deanda, F.,Shotwell, J.B.,Tang, J.,Hamajima, T.,Nakamura, H.,Leesnitzer, M.A.,Hassell, A.M.,Shewchuck, L.M.,Kumar, R.,Lei, H.,Chamberlain, S.D.
Discovery of 3,5-disubstituted-1H-pyrrolo[2,3-b]pyridines as potent inhibitors of the insulin-like growth factor-1 receptor (IGF-1R) tyrosine kinase.
Bioorg.Med.Chem.Lett., 19:3136-3140, 2009
PubMed: 19394223 (PDB entries with the same primary citation)
DOI: 10.1016/j.bmcl.2008.12.110
MImport into Mendeley
Experimental method

Structure validation

RfreeClashscoreRamachandran outliersSidechain outliersRSRZ outliers0.23940.2%04.4%MetricValuePercentile RanksWorseBetterPercentile relative to all X-ray structuresPercentile relative to X-ray structures of similar resolution

More Asymmetric unit images

Molmil generated image of 3eta
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Molmil generated image of 3eta
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Molmil generated image of 3eta
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