2025-04-12_00000202|ligand|9F8J

Crystal Structure of PhzA/B from Burkholderia cepacia R18194 in complex with (3-Bromophenyl)[6-hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl]methanone; X-ray diffraction 1.60Å
Protein #1 185 residues (84% resolved)

MGSSHHHHHHSSGLVPRGSHMSDVESLENTSENRAQVAARQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLPS

MGSSHHHHHHSSGLVPRGSHMSDVESLENTSENRAQVAARQHNRKIVEQYMHTRGEARLKRHLLFTEDGVGGLWTTDSGQPIAIRGREKLGEHAVWSLQCFPDWVWTDIQIFETQDPNWFWVECRGEGAIVFPGYPRGQYRNHFLHSFRFENGLIKEQREFMNPCEQFRSLGIEVPEVRRDGLPS
Non polymer #2 A1IAG

InChI=1S/C21H13BrO3S/c22-14-3-1-2-13(10-14)20(25)19-17-9-8-16(24)11-18(17)26-21(19)12-4-6-15(23)7-5-12/h1-11,23-24H

c1cc(cc(c1)Br)C(=O)c2c3ccc(cc3sc2c4ccc(cc4)O)O
Non polymer #3 MES

InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

C1COCC[NH+]1CCS(=O)(=O)[O-]
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Reference