2026-08-01_00000234
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ligand
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9FRY
Pseudomonas aeruginosa Elastase in complex with a phosphonate based inhibitor (R-configured);
X-ray diffraction 1.35Å
Protein #1
514 residues (58% resolved)
Raw Sequence ...
MKYLLPTAAAGLLLLAAQPAMAMGADLIDVSKLPSKAAQGAPGPVTLQAAVGAGGADELKAIRSTTLPNGKQVTRYEQFHNGVRVVGEAITEVKGPGKSVAAQRSGHFVANIAADLPGSTTAAVSAEQVLAQAKSLKAQGRKTENDKVELVIRLGENNIAQLVYNVSYLIPGEGLSRPHFVIDAKTGEVLDQWEGLAHAEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCPSALENLYFQGLEHHHHHH
Canonical Sequence ...
MKYLLPTAAAGLLLLAAQPAMAMGADLIDVSKLPSKAAQGAPGPVTLQAAVGAGGADELKAIRSTTLPNGKQVTRYEQFHNGVRVVGEAITEVKGPGKSVAAQRSGHFVANIAADLPGSTTAAVSAEQVLAQAKSLKAQGRKTENDKVELVIRLGENNIAQLVYNVSYLIPGEGLSRPHFVIDAKTGEVLDQWEGLAHAEAGGPGGNQKIGKYTYGSDYGPLIVNDRCEMDDGNVITVDMNSSTDDSKTTPFRFACPTNTYKQVNGAYSPLNDAHFFGGVVFKLYRDWFGTSPLTHKLYMKVHYGRSVENAYWDGTAMLFGDGATMFYPLVSLDVAAHEVSHGFTEQNSGLIYRGQSGGMNEAFSDMAGEAAEFYMRGKNDFLIGYDIKKGSGALRYMDQPSRDGRSIDNASQYYNGIDVHHSSGVYNRAFYLLANSPGWDTRKAFEVFVDANRYYWTATSNYNSGACGVIRSAQNRNYSAADVTRAFSTVGVTCPSALENLYFQGLEHHHHHH
Non polymer #2
A1IFU
InChI=1S/C18H21ClNO4P/c1-12(2)11-17(25(22,23)24)18(21)20-16-9-5-14(6-10-16)13-3-7-15(19)8-4-13/h3-10,12,17H,11H2,1-2H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
InChI=1S/C18H21ClNO4P/c1-12(2)11-17(25(22,23)24)18(21)20-16-9-5-14(6-10-16)13-3-7-15(19)8-4-13/h3-10,12,17H,11H2,1-2H3,(H,20,21)(H2,22,23,24)/t17-/m1/s1
SMILES: CC(C)C[C@H](C(=O)Nc1ccc(cc1)c2ccc(cc2)Cl)P(=O)(O)O
CC(C)C[C@H](C(=O)Nc1ccc(cc1)c2ccc(cc2)Cl)P(=O)(O)O
Non polymer #3
CA
InChI=1S/Ca/q+2
InChI=1S/Ca/q+2
SMILES: [Ca+2]
[Ca+2]
Non polymer #4
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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