2025-08-30_00000082
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ligand
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9FOC
Crystal structure of the PWWP1 domain of NSD2 bound by compound 11.;
X-ray diffraction 1.62Å
Protein #1
176 residues (82% resolved)
Raw Sequence ...
MGGGPNTGRDKDHLLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYVGDQLHLNPQVAKEAGIAAEGGGENLYFQGS
Canonical Sequence ...
MGGGPNTGRDKDHLLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYVGDQLHLNPQVAKEAGIAAEGGGENLYFQGS
Non polymer #2
A1IEG
InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14-/m0/s1
InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14-/m0/s1
SMILES: Cc1cc(nc(n1)N2CCC[C@H]2C(=O)NC)N(C)C[C@@H]3CCS(=O)(=O)C3
Cc1cc(nc(n1)N2CCC[C@H]2C(=O)NC)N(C)C[C@@H]3CCS(=O)(=O)C3
Non polymer #3
A1IFS
InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14+/m1/s1
InChI=1S/C17H27N5O3S/c1-12-9-15(21(3)10-13-6-8-26(24,25)11-13)20-17(19-12)22-7-4-5-14(22)16(23)18-2/h9,13-14H,4-8,10-11H2,1-3H3,(H,18,23)/t13-,14+/m1/s1
SMILES: Cc1cc(nc(n1)N2CCC[C@H]2C(=O)NC)N(C)C[C@H]3CCS(=O)(=O)C3
Cc1cc(nc(n1)N2CCC[C@H]2C(=O)NC)N(C)C[C@H]3CCS(=O)(=O)C3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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