2024-06-08_00000187
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ligand
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8VZP
Crystal Structure of the ER-alpha Ligand-binding Domain (L372S, L536S) in complex with k-403;
X-ray diffraction 1.72Å
Protein #1
242 residues (97% resolved)
Raw Sequence ...
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTSHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPSYDLLLEMLDA
Canonical Sequence ...
SLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTSHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPSYDLLLEMLDA
Non polymer #2
A1AHW
InChI=1S/C27H27NO7S/c1-34-22-12-6-19(7-13-22)28(14-15-29)36(32,33)24-16-23-25(17-2-8-20(30)9-3-17)26(27(24)35-23)18-4-10-21(31)11-5-18/h2-13,23-24,27,29-31H,14-16H2,1H3/t23-,24+,27+/m0/s1
InChI=1S/C27H27NO7S/c1-34-22-12-6-19(7-13-22)28(14-15-29)36(32,33)24-16-23-25(17-2-8-20(30)9-3-17)26(27(24)35-23)18-4-10-21(31)11-5-18/h2-13,23-24,27,29-31H,14-16H2,1H3/t23-,24+,27+/m0/s1
SMILES: COc1ccc(cc1)N(CCO)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O
COc1ccc(cc1)N(CCO)S(=O)(=O)[C@@H]2C[C@H]3C(=C([C@@H]2O3)c4ccc(cc4)O)c5ccc(cc5)O
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Model
Reference
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