2026-09-12_00000221
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ligand
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9TN4
Akt1 mutant in complex with 2-amino, 6-methyl pyridine containing compound and EG;
X-ray diffraction 2.40Å
Protein #1
445 residues (84% resolved)
Raw Sequence ...
GSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQAAAEMDFRSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNTRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALEYLHSRDVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQM
Canonical Sequence ...
GSDVAIVKEGWLHKRGEYIKTWRPRYFLLKNDGTFIGYKERPQDVDQREAPLNNFSVAQCQLMKTERPRPNTFIIRCLQWTTVIERTFHVETPEEREEWTTAIQTVADGLKKQAAAEMDFRSGSPSDNSGAEEMEVSLAKPKHRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVAHTLTENRVLQNTRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRERVFSEDRARFYGAEIVSALEYLHSRDVVYRDLKLENLMLDKDGHIKITDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLGGGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFTAQM
Non polymer #2
A1JWW
InChI=1S/C40H41N7O2/c1-3-38(48)44-32-14-15-35-36(23-32)47(40(49)45-35)33-17-19-46(20-18-33)25-27-9-11-30(12-10-27)39-34(29-7-5-4-6-8-29)22-28(24-42-39)21-31-13-16-37(41)43-26(31)2/h4-16,22-24,33H,3,17-21,25H2,1-2H3,(H2,41,43)(H,44,48)(H,45,49)
InChI=1S/C40H41N7O2/c1-3-38(48)44-32-14-15-35-36(23-32)47(40(49)45-35)33-17-19-46(20-18-33)25-27-9-11-30(12-10-27)39-34(29-7-5-4-6-8-29)22-28(24-42-39)21-31-13-16-37(41)43-26(31)2/h4-16,22-24,33H,3,17-21,25H2,1-2H3,(H2,41,43)(H,44,48)(H,45,49)
SMILES: CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)Cc6ccc(nc6C)N)c7ccccc7
CCC(=O)Nc1ccc2c(c1)N(C(=O)N2)C3CCN(CC3)Cc4ccc(cc4)c5c(cc(cn5)Cc6ccc(nc6C)N)c7ccccc7
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
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Model
Reference
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