2026-07-25_00000041
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ligand
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29AH
Crystal structure of PaLpxC complexed with compound 6;
X-ray diffraction 2.20Å
Protein #1
299 residues (99% resolved)
Raw Sequence ...
MIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFSRTDLDPVVEIPARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRP
Canonical Sequence ...
MIKQRTLKNIIRATGVGLHSGEKVYLTLKPAPVDTGIVFSRTDLDPVVEIPARAENVGETTMSTTLVKGDVKVDTVEHLLSAMAGLGIDNAYVELSASEVPIMDGSAGPFVFLIQSAGLQEQEAAKKFIRIKREVSVEEGDKRAVFVPFDGFKVSFEIDFDHPVFRGRTQQASVDFSSTSFVKEVSRARTFGFMRDIEYLRSQNLALGGSVENAIVVDENRVLNEDGLRYEDEFVKHKILDAIGDLYLLGNSLIGEFRGFKSGHALNNQLLRTLIADKDAWEVVTFEDARTAPISYMRP
Non polymer #2
A1J1T
InChI=1S/C28H31FN4O3/c29-11-12-30-18-25(26-27(34)28(35)32-20-31-26)17-23-7-3-21(4-8-23)1-2-22-5-9-24(10-6-22)19-33-13-15-36-16-14-33/h3-10,20,25,30,34H,11-19H2,(H,31,32,35)/t25-/m1/s1
InChI=1S/C28H31FN4O3/c29-11-12-30-18-25(26-27(34)28(35)32-20-31-26)17-23-7-3-21(4-8-23)1-2-22-5-9-24(10-6-22)19-33-13-15-36-16-14-33/h3-10,20,25,30,34H,11-19H2,(H,31,32,35)/t25-/m1/s1
SMILES: c1cc(ccc1C[C@H](CNCCF)C2=C(C(=O)NC=N2)O)C#Cc3ccc(cc3)CN4CCOCC4
c1cc(ccc1C[C@H](CNCCF)C2=C(C(=O)NC=N2)O)C#Cc3ccc(cc3)CN4CCOCC4
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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