2025-06-21_00000114|ligand|9FQE

Pseudomonas aeruginosa Elastase in complex with a phosphonate based inhibitor (R-configured); X-ray diffraction 1.60Å
Protein #1 301 residues (99% resolved)

AEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCPSAL

AEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCPSAL
Non polymer #2 A1IEU

InChI=1S/C20H24Cl2N3O5P/c1-12(2)9-18(31(28,29)30)20(27)25-17(11-13-5-3-4-8-23-13)19(26)24-14-6-7-15(21)16(22)10-14/h3-8,10,12,17-18H,9,11H2,1-2H3,(H,24,26)(H,25,27)(H2,28,29,30)/t17-,18+/m0/s1

CC(C)C[C@H](C(=O)N[C@@H](Cc1ccccn1)C(=O)Nc2ccc(c(c2)Cl)Cl)P(=O)(O)O
Non polymer #3 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference