2025-07-19_00000097
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ligand
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9HUK
Crystal structure of human GSK3b in complex with ARN24161;
X-ray diffraction 3.50Å
Protein #1
442 residues (82% resolved)
Raw Sequence ...
MGHHHHHHSSGVDLGTENLYFQSSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
Canonical Sequence ...
MGHHHHHHSSGVDLGTENLYFQSSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
Non polymer #2
A1IXL
InChI=1S/C27H28Cl2N6O2/c28-21-6-3-7-23(25(21)29)34-15-13-33(14-16-34)12-2-1-11-31-26(36)35-24-17-19(20-5-4-10-30-18-20)8-9-22(24)32-27(35)37/h3-10,17-18H,1-2,11-16H2,(H,31,36)(H,32,37)
InChI=1S/C27H28Cl2N6O2/c28-21-6-3-7-23(25(21)29)34-15-13-33(14-16-34)12-2-1-11-31-26(36)35-24-17-19(20-5-4-10-30-18-20)8-9-22(24)32-27(35)37/h3-10,17-18H,1-2,11-16H2,(H,31,36)(H,32,37)
SMILES: c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%