2026-11-07_00000064|ligand|30EH

2-heptyl-4(1H)-quinolone synthase PqsBC in complex with compound 35; X-ray diffraction 1.95Å
Protein #1 365 residues (96% resolved)

MGHHHHHHAENLYFQGHMHKVKLAAITCELPARSYENDDPVFAAVPDLSESWWQFWGVNRRGYFDPRNGENEFSLVVRAAERLLRSSDTAPDSVDMLICSASSPIMTDAGDVLPDLRGRLYPRMANVLSKQLGLSRALPLDSQMEAASFLLNLRLAASMIRQGKAEKVLVVCSEYISNLLDFTSRTSTLFADGCAVALLTRGDDDSCDLLASAEHSDATFYEVATGRWRLPENPTGEAKPRLYFSLFSDGQNKMASFVPTNVPIAMRRALEKAGLGSDDIDYFVFHQPAPFLVKAWAEGIGARPEQYQLTMGDTGVMISVSIPYTLMTGLREGKIRPGDRIVMAGAATGWGFAAQVWQLGEVLVC

MGHHHHHHAENLYFQGHMHKVKLAAITCELPARSYENDDPVFAAVPDLSESWWQFWGVNRRGYFDPRNGENEFSLVVRAAERLLRSSDTAPDSVDMLICSASSPIMTDAGDVLPDLRGRLYPRMANVLSKQLGLSRALPLDSQMEAASFLLNLRLAASMIRQGKAEKVLVVCSEYISNLLDFTSRTSTLFADGCAVALLTRGDDDSCDLLASAEHSDATFYEVATGRWRLPENPTGEAKPRLYFSLFSDGQNKMASFVPTNVPIAMRRALEKAGLGSDDIDYFVFHQPAPFLVKAWAEGIGARPEQYQLTMGDTGVMISVSIPYTLMTGLREGKIRPGDRIVMAGAATGWGFAAQVWQLGEVLVC
Protein #2 283 residues (99% resolved)

MLIQAVGVNLPPSYVCLEGPLGGERPRAQGDEMLMQRLLPAVREALDEAAVKPEEIDLIVGLALSPDHLIENRDIMAPKIGHPLQKVLGANRAHVFDLTDSSLARALYVVDTLASDQGYRNVLVVRGESSQGLEVDSESGFALADGALALLCRPTGKAAFRRGALGGDPAQEWLPLSIPLNTDIRQVGDVKGHLNLPAQPGLPEAVRAGFTRLAGDFPQLNWVREEWFGQGRPDGRCLGPFELASQLRAAQRDRLDELLLISFDPFGMVVEGVTLELAGEAHA

MLIQAVGVNLPPSYVCLEGPLGGERPRAQGDEMLMQRLLPAVREALDEAAVKPEEIDLIVGLALSPDHLIENRDIMAPKIGHPLQKVLGANRAHVFDLTDSSLARALYVVDTLASDQGYRNVLVVRGESSQGLEVDSESGFALADGALALLCRPTGKAAFRRGALGGDPAQEWLPLSIPLNTDIRQVGDVKGHLNLPAQPGLPEAVRAGFTRLAGDFPQLNWVREEWFGQGRPDGRCLGPFELASQLRAAQRDRLDELLLISFDPFGMVVEGVTLELAGEAHA
Non polymer #3 A1J61

InChI=1S/C14H12F2N2OS2/c1-2-5-18(13(19)7-20)14-17-12(8-21-14)9-3-4-10(15)11(16)6-9/h2-4,6,8,20H,1,5,7H2

C=CCN(c1nc(cs1)c2ccc(c(c2)F)F)C(=O)CS
Non polymer #4 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
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Reference