2025-06-14_00000151|ligand|9H0X

ProA in complex with inhibitor 6; X-ray diffraction 1.36Å
Protein #1 336 residues (98% resolved)

EKVQAKGMGFGGNRKIGEYQFGKDLPLLEITRDSSVEMCFMENTDVKVVDMGHKYYSNNKPMQFTCKETPDTQSTKTYYTGYSADGYDRDNGAASPTNDALYAGYVIKHMYHDWYGVEALTKSDGSPMQLVMRVHYGQGYENAYWDGKQMTFGDGDTMMYPLVSLGVGGHEVSHGFTEQHSGLEYFGQSGGMNESFSDMAAQAAEYYSVGKNSWQIGPEIMKEDSGYDALRYMDKPSRDGMSIDVADDYYGGLDVHYSSGVYNHLFYILANQPNWNLRMAFDVMVKANMDYWTPYSTFDEGGCGMLSAAKDLGYNLDDIKKSLSEVTINYQSCYVD

EKVQAKGMGFGGNRKIGEYQFGKDLPLLEITRDSSVEMCFMENTDVKVVDMGHKYYSNNKPMQFTCKETPDTQSTKTYYTGYSADGYDRDNGAASPTNDALYAGYVIKHMYHDWYGVEALTKSDGSPMQLVMRVHYGQGYENAYWDGKQMTFGDGDTMMYPLVSLGVGGHEVSHGFTEQHSGLEYFGQSGGMNESFSDMAAQAAEYYSVGKNSWQIGPEIMKEDSGYDALRYMDKPSRDGMSIDVADDYYGGLDVHYSSGVYNHLFYILANQPNWNLRMAFDVMVKANMDYWTPYSTFDEGGCGMLSAAKDLGYNLDDIKKSLSEVTINYQSCYVD
Non polymer #2 A1IRK

InChI=1S/C21H32N6O5S/c1-14(2)9-19(21(29)25-30)20(28)23-17-7-5-16(6-8-17)11-27-12-18(24-26-27)10-22-33(31,32)13-15(3)4/h5-8,12,14-15,19,22,30H,9-11,13H2,1-4H3,(H,23,28)(H,25,29)/t19-/m1/s1

CC(C)C[C@H](C(=O)Nc1ccc(cc1)Cn2cc(nn2)CNS(=O)(=O)CC(C)C)C(=O)NO
Non polymer #3 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference