2025-11-22_00000104
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ligand
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9KNA
NSD2-PWWP1 domain bound with compound 6;
X-ray diffraction 2.92Å
Protein #1
132 residues (98% resolved)
Raw Sequence ...
LLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLY
Canonical Sequence ...
LLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLY
Non polymer #2
6Y3
InChI=1S/C13H12N2OSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17/h1-8,17H,14H2,(H,15,16)
InChI=1S/C13H12N2OSe/c14-9-5-7-10(8-6-9)15-13(16)11-3-1-2-4-12(11)17/h1-8,17H,14H2,(H,15,16)
SMILES: c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH]
c1ccc(c(c1)C(=O)Nc2ccc(cc2)N)[SeH]
Non polymer #3
EPE
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
C1CN(CCN1CCO)CCS(=O)(=O)O
Biounit #1
homo-dimer
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Model
Reference
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