2024-05-25_00000353
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ligand
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9EXY
Crystal structure of the PWWP1 domain of NSD2 bound by compound 34.;
X-ray diffraction 1.70Å
Protein #1
182 residues (76% resolved)
Raw Sequence ...
MGGGPNTGRDKDHLLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQAASARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTAAEKIKLLAPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYVGDQLHLNPQVAKEAGIAAEGGGENLYFQGSHHHHHH
Canonical Sequence ...
MGGGPNTGRDKDHLLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQAASARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTAAEKIKLLAPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYVGDQLHLNPQVAKEAGIAAEGGGENLYFQGSHHHHHH
Non polymer #2
A1H7Z
InChI=1S/C25H27N3O3/c1-16-6-7-18(14-28-10-4-3-5-11-28)12-20(16)25-24(17(2)31-27-25)19-8-9-21-22(13-19)30-15-23(29)26-21/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,26,29)
InChI=1S/C25H27N3O3/c1-16-6-7-18(14-28-10-4-3-5-11-28)12-20(16)25-24(17(2)31-27-25)19-8-9-21-22(13-19)30-15-23(29)26-21/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,26,29)
SMILES: Cc1ccc(cc1c2c(c(on2)C)c3ccc4c(c3)OCC(=O)N4)CN5CCCCC5
Cc1ccc(cc1c2c(c(on2)C)c3ccc4c(c3)OCC(=O)N4)CN5CCCCC5
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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