2025-06-14_00000152|ligand|9H0Y

ProA in complex with inhibitor 7; X-ray diffraction 1.51Å
Protein #1 336 residues (98% resolved)

EKVQAKGMGFGGNRKIGEYQFGKDLPLLEITRDSSVEMCFMENTDVKVVDMGHKYYSNNKPMQFTCKETPDTQSTKTYYTGYSADGYDRDNGAASPTNDALYAGYVIKHMYHDWYGVEALTKSDGSPMQLVMRVHYGQGYENAYWDGKQMTFGDGDTMMYPLVSLGVGGHEVSHGFTEQHSGLEYFGQSGGMNESFSDMAAQAAEYYSVGKNSWQIGPEIMKEDSGYDALRYMDKPSRDGMSIDVADDYYGGLDVHYSSGVYNHLFYILANQPNWNLRMAFDVMVKANMDYWTPYSTFDEGGCGMLSAAKDLGYNLDDIKKSLSEVTINYQSCYVD

EKVQAKGMGFGGNRKIGEYQFGKDLPLLEITRDSSVEMCFMENTDVKVVDMGHKYYSNNKPMQFTCKETPDTQSTKTYYTGYSADGYDRDNGAASPTNDALYAGYVIKHMYHDWYGVEALTKSDGSPMQLVMRVHYGQGYENAYWDGKQMTFGDGDTMMYPLVSLGVGGHEVSHGFTEQHSGLEYFGQSGGMNESFSDMAAQAAEYYSVGKNSWQIGPEIMKEDSGYDALRYMDKPSRDGMSIDVADDYYGGLDVHYSSGVYNHLFYILANQPNWNLRMAFDVMVKANMDYWTPYSTFDEGGCGMLSAAKDLGYNLDDIKKSLSEVTINYQSCYVD
Non polymer #2 A1IRL

InChI=1S/C17H25Cl2N2O5P/c1-9(2)7-14(27(24,25)26)16(22)21-15(10(3)4)17(23)20-11-5-6-12(18)13(19)8-11/h5-6,8-10,14-15H,7H2,1-4H3,(H,20,23)(H,21,22)(H2,24,25,26)/t14-,15-/m1/s1

CC(C)C[C@H](C(=O)N[C@H](C(C)C)C(=O)Nc1ccc(c(c1)Cl)Cl)P(=O)(O)O
Non polymer #3 BU3

InChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1

C[C@H]([C@@H](C)O)O
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference