2026-02-28_00000119
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ligand
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9LWY
Crystal structure of human WDR5 in complex with compound 4;
X-ray diffraction 1.55Å
Protein #1
334 residues (91% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMSATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMSATQSKPTPVKPNYALKFTLAGHTKAVSSVKFSPNGEWLASSSADKLIKIWGAYDGKFEKTISGHKLGISDVAWSSDSNLLVSASDDKTLKIWDVSSGKCLKTLKGHSNYVFCCNFNPQSNLIVSGSFDESVRIWDVKTGKCLKTLPAHSDPVSAVHFNRDGSLIVSSSYDGLCRIWDTASGQCLKTLIDDDNPPVSFVKFSPNGKYILAATLDNTLKLWDYSKGKCLKTYTGHKNEKYCIFANFSVTGGKWIVSGSEDNLVYIWNLQTKEIVQKLQGHTDVVISTACHPTENIIASAALENDKTIKLWKSDC
Non polymer #2
A1EMB
InChI=1S/C20H19FN6S/c1-11-9-23-19(28-11)17-8-13(6-14-10-27(3)20(22)25-14)7-16(26-17)15-4-5-18(21)24-12(15)2/h4-5,7-10H,6H2,1-3H3,(H2,22,25)
InChI=1S/C20H19FN6S/c1-11-9-23-19(28-11)17-8-13(6-14-10-27(3)20(22)25-14)7-16(26-17)15-4-5-18(21)24-12(15)2/h4-5,7-10H,6H2,1-3H3,(H2,22,25)
SMILES: Cc1cnc(s1)c2cc(cc(n2)c3ccc(nc3C)F)Cc4cn(c(n4)N)C
Cc1cnc(s1)c2cc(cc(n2)c3ccc(nc3C)F)Cc4cn(c(n4)N)C
Biounit #1
monomer
Download coordinates
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Model
Reference
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