2026-07-25_00000042
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ligand
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29AI
Crystal structure of EcLpxC complexed with compound 7a;
X-ray diffraction 2.62Å
Protein #1
290 residues (100% resolved)
Raw Sequence ...
MIKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDFPADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPEIPIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPYNGFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEYLQSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMCGHNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDD
Canonical Sequence ...
MIKQRTLKRIVQATGVGLHTGKKVTLTLRPAPANTGVIYRRTDLNPPVDFPADAKSVRDTMLCTCLVNEHDVRISTVEHLNAALAGLGIDNIVIEVNAPEIPIMDGSAAPFVYLLLDAGIDELNCAKKFVRIKETVRVEDGDKWAEFKPYNGFSLDFTIDFNHPAIDSSNQRYAMNFSADAFMRQISRARTFGFMRDIEYLQSRGLCLGGSFDCAIVVDDYRVLNEDGLRFEDEFVRHKMLDAIGDLFMCGHNIIGAFTAYKSGHALNNKLLQAVLAKQEAWEYVTFQDD
Non polymer #2
A1J1S
InChI=1S/C25H25N3O3/c29-22-13-21(14-22)26-15-20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)11-12-23-24(30)25(31)28-16-27-23/h3-10,16,21-22,26,29-30H,11-15H2,(H,27,28,31)/t21-,22-
InChI=1S/C25H25N3O3/c29-22-13-21(14-22)26-15-20-9-7-18(8-10-20)2-1-17-3-5-19(6-4-17)11-12-23-24(30)25(31)28-16-27-23/h3-10,16,21-22,26,29-30H,11-15H2,(H,27,28,31)/t21-,22-
SMILES: c1cc(ccc1CCC2=C(C(=O)NC=N2)O)C#Cc3ccc(cc3)CNC4CC(C4)O
c1cc(ccc1CCC2=C(C(=O)NC=N2)O)C#Cc3ccc(cc3)CNC4CC(C4)O
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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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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Model
Reference
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