2025-07-19_00000098
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ligand
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9HUL
Crystal structure of human GSK3b in complex with ARN25423;
X-ray diffraction 2.90Å
Protein #1
442 residues (82% resolved)
Raw Sequence ...
MGHHHHHHSSGVDLGTENLYFQSSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
Canonical Sequence ...
MGHHHHHHSSGVDLGTENLYFQSSGRPRTTSFAESCKPVQQPSAFGSMKVSRDKDGSKVTTVVATPGQGPDRPQEVSYTDTKVIGNGSFGVVYQAKLCDSGELVAIKKVLQDKRFKNRELQIMRKLDHCNIVRLRYFFYSSGEKKDEVYLNLVLDYVPETVYRVARHYSRAKQTLPVIYVKLYMYQLFRSLAYIHSFGICHRDIKPQNLLLDPDTAVLKLCDFGSAKQLVRGEPNVSYICSRYYRAPELIFGATDYTSSIDVWSAGCVLAELLLGQPIFPGDSGVDQLVEIIKVLGTPTREQIREMNPNYTEFKFPQIKAHPWTKVFRPRTPPEAIALCSRLLEYTPTARLTPLEACAHSFFDELRDPNVKLPNGRDTPALFNFTTQELSSNPPLATILIPPHARIQAAASTPTNATAASDANTGDRGQTNNAASASASNST
Non polymer #2
A1IXM
InChI=1S/C26H26Cl2N6O2/c27-20-5-1-6-22(24(20)28)33-14-12-32(13-15-33)11-3-10-30-25(35)34-23-16-18(19-4-2-9-29-17-19)7-8-21(23)31-26(34)36/h1-2,4-9,16-17H,3,10-15H2,(H,30,35)(H,31,36)
InChI=1S/C26H26Cl2N6O2/c27-20-5-1-6-22(24(20)28)33-14-12-32(13-15-33)11-3-10-30-25(35)34-23-16-18(19-4-2-9-29-17-19)7-8-21(23)31-26(34)36/h1-2,4-9,16-17H,3,10-15H2,(H,30,35)(H,31,36)
SMILES: c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5
c1cc(c(c(c1)Cl)Cl)N2CCN(CC2)CCCNC(=O)N3c4cc(ccc4NC3=O)c5cccnc5
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
100%