2025-07-19_00000099
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ligand
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9HV3
Crystal structure of human GSK3b in complex with ARN25657;
X-ray diffraction 2.90Å
Protein #1
442 residues (82% resolved)
Raw Sequence ...
MGHHHHHHSSGVDLGTENLYFQSSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
Canonical Sequence ...
MGHHHHHHSSGVDLGTENLYFQSSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
Non polymer #2
A1IXN
InChI=1S/C26H28N6O2/c33-25(28-12-5-13-30-14-16-31(17-15-30)22-7-2-1-3-8-22)32-24-18-20(21-6-4-11-27-19-21)9-10-23(24)29-26(32)34/h1-4,6-11,18-19H,5,12-17H2,(H,28,33)(H,29,34)
InChI=1S/C26H28N6O2/c33-25(28-12-5-13-30-14-16-31(17-15-30)22-7-2-1-3-8-22)32-24-18-20(21-6-4-11-27-19-21)9-10-23(24)29-26(32)34/h1-4,6-11,18-19H,5,12-17H2,(H,28,33)(H,29,34)
SMILES: c1ccc(cc1)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5
c1ccc(cc1)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%