2025-05-17_00000024
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ligand
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8X62
crystal structure of human Mcl-1 kinase domain in complex with RM1;
X-ray diffraction 2.80Å
Protein #1
151 residues (100% resolved)
Raw Sequence ...
SDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHV
Canonical Sequence ...
SDELYRQSLEIISRYLREQATGAKDTKPMGRSGATSRKALETLRRVGDGVQRNHETAFQGMLRKLDIKNEDDVKSLSRVMIHVFSDGVTNWGRIVTLISFGAFVAKHLKTINQESCIEPLAESITDVLVRTKRDWLVKQRGWDGFVEFFHV
Non polymer #2
YO0
InChI=1S/C35H33N3O5/c1-22-31(29(37-38(22)2)21-43-24-13-4-3-5-14-24)28-17-9-16-26-27(33(36-32(26)28)34(39)35(40)41)18-10-20-42-30-19-8-12-23-11-6-7-15-25(23)30/h3-9,11-17,19,35-36,40-41H,10,18,20-21H2,1-2H3
InChI=1S/C35H33N3O5/c1-22-31(29(37-38(22)2)21-43-24-13-4-3-5-14-24)28-17-9-16-26-27(33(36-32(26)28)34(39)35(40)41)18-10-20-42-30-19-8-12-23-11-6-7-15-25(23)30/h3-9,11-17,19,35-36,40-41H,10,18,20-21H2,1-2H3
SMILES: Cc1c(c(nn1C)COc2ccccc2)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)C(O)O
Cc1c(c(nn1C)COc2ccccc2)c3cccc4c3[nH]c(c4CCCOc5cccc6c5cccc6)C(=O)C(O)O
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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