2025-11-01_00000033
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ligand
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7IFM
Crystal structure of Endothiapepsin in complex with follow-up compound EOS12514 from ECBL;
X-ray diffraction 1.14Å
Protein #1
330 residues (100% resolved)
Raw Sequence ...
STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK
Canonical Sequence ...
STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK
Non polymer #2
A1CGV
InChI=1S/C17H21NO2/c1-2-18-12-13-19-16-8-10-17(11-9-16)20-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3
InChI=1S/C17H21NO2/c1-2-18-12-13-19-16-8-10-17(11-9-16)20-14-15-6-4-3-5-7-15/h3-11,18H,2,12-14H2,1H3
SMILES: CCNCCOc1ccc(cc1)OCc2ccccc2
CCNCCOc1ccc(cc1)OCc2ccccc2
Biounit #1
monomer
Download coordinates
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Model
Reference
100%