2024-10-12_00000172|ligand|9AUU

Hsp90 NTD in complex with compound 6; X-ray diffraction 2.00Å
Protein #1 236 residues (88% resolved)

GPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE

GPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRTLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGGSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE
Non polymer #2 A1AG2

InChI=1S/C26H24FIN6O4S/c27-17-4-3-15(23(36)16(17)11-35)10-33-5-1-2-14(8-33)9-34-25-22(24(29)30-12-31-25)32-26(34)39-21-7-20-19(6-18(21)28)37-13-38-20/h3-4,6-7,11-12,14,36H,1-2,5,8-10,13H2,(H2,29,30,31)/t14-/m0/s1

c1cc(c(c(c1CN2CCC[C@@H](C2)Cn3c4c(c(ncn4)N)nc3Sc5cc6c(cc5I)OCO6)O)C=O)F
Non polymer #3 MG

InChI=1S/Mg/q+2

[Mg+2]
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Reference