2025-11-22_00000103
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ligand
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9KN9
NSD2-PWWP1 domain bound with compound 1.;
X-ray diffraction 2.00Å
Protein #1
133 residues (98% resolved)
Raw Sequence ...
LLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYV
Canonical Sequence ...
LLKYNVGDLVWSKVSGYPWWPCMVSADPLLHSYTKLKGQKKSARQYHVQFFGDAPERAWIFEKSLVAFEGEGQFEKLCQESAKQAPTKAEKIKLLKPISGKLRAQWEMGIVQAEEAASMSVEERKAKFTFLYV
Non polymer #2
A1EF6
InChI=1S/C4H7NOS/c1-5-4(6)2-3-7/h2-3,7H,1H3,(H,5,6)/b3-2+
InChI=1S/C4H7NOS/c1-5-4(6)2-3-7/h2-3,7H,1H3,(H,5,6)/b3-2+
SMILES: CNC(=O)/C=C/S
CNC(=O)/C=C/S
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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