2025-03-22_00000077
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ligand
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7HBO
PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13368;
X-ray diffraction 2.07Å
Protein #1
237 residues (88% resolved)
Raw Sequence ...
MDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAELEHHHHHH
Canonical Sequence ...
MDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAELEHHHHHH
Non polymer #2
A1AY1
InChI=1S/C13H22N2O/c1-3-4-7-14-13(16)15(2)12-9-10-5-6-11(12)8-10/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,14,16)/t10-,11?,12?/m1/s1
InChI=1S/C13H22N2O/c1-3-4-7-14-13(16)15(2)12-9-10-5-6-11(12)8-10/h5-6,10-12H,3-4,7-9H2,1-2H3,(H,14,16)/t10-,11?,12?/m1/s1
SMILES: CCCCNC(=O)N(C)[C@@H]1C[C@H]2C[C@@H]1C=C2
CCCCNC(=O)N(C)[C@@H]1C[C@H]2C[C@@H]1C=C2
Biounit #1
monomer
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Model
Reference
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