2026-07-25_00000043|ligand|29AK

Crystal structure of PaLpxC complexed with compound 8k; X-ray diffraction 1.50Å
Protein #1 300 residues (100% resolved)

SMIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFSRTDLDPVVEIPARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRP

SMIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFSRTDLDPVVEIPARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRP
Non polymer #2 A1J1V

InChI=1S/C29H33FN4O3/c1-21(17-30)31-18-26(16-27-28(35)29(36)33-20-32-27)25-10-8-23(9-11-25)3-2-22-4-6-24(7-5-22)19-34-12-14-37-15-13-34/h4-11,20-21,26,31,35H,12-19H2,1H3,(H,32,33,36)/t21-,26+/m0/s1

C[C@@H](CF)NC[C@@H](CC1=C(C(=O)NC=N1)O)c2ccc(cc2)C#Cc3ccc(cc3)CN4CCOCC4
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference