2025-08-30_00000083
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ligand
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9FOE
Crystal structure of the PWWP1 domain of NSD2 bound by compound 7.;
X-ray diffraction 1.96Å
Protein #1
174 residues (69% resolved)
Raw Sequence ...
MGGGPNTGRDKDHLLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQAASARQYHVQFFGDAPERAWIFEKSLVAFAGEGQFAKLCQESAKQAPTAAEKIKLLAPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYVGAQLHLNPQVAKEAGIAAEGGGENLYFQ
Canonical Sequence ...
MGGGPNTGRDKDHLLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQAASARQYHVQFFGDAPERAWIFEKSLVAFAGEGQFAKLCQESAKQAPTAAEKIKLLAPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYVGAQLHLNPQVAKEAGIAAEGGGENLYFQ
Non polymer #2
A1IEF
InChI=1S/C19H27N7O/c1-3-25(13-15-6-8-21-9-7-15)17-11-14(2)23-19(24-17)26-10-4-5-16(26)12-22-18(20)27/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H3,20,22,27)/t16-/m0/s1
InChI=1S/C19H27N7O/c1-3-25(13-15-6-8-21-9-7-15)17-11-14(2)23-19(24-17)26-10-4-5-16(26)12-22-18(20)27/h6-9,11,16H,3-5,10,12-13H2,1-2H3,(H3,20,22,27)/t16-/m0/s1
SMILES: CCN(Cc1ccncc1)c2cc(nc(n2)N3CCC[C@H]3CNC(=O)N)C
CCN(Cc1ccncc1)c2cc(nc(n2)N3CCC[C@H]3CNC(=O)N)C
Biounit #1
monomer
Download coordinates
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Model
Reference
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