2025-11-01_00000010
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ligand
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7IEZ
Crystal structure of Endothiapepsin in complex with fragment EOS103253 from ECBL-96;
X-ray diffraction 1.12Å
Protein #1
330 residues (100% resolved)
Raw Sequence ...
STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK
Canonical Sequence ...
STGSATTTPIDSLDDAYITPVQIGTPAQTLNLDFDTGSSDLWVFSSETTASEVDGQTIYTPSKSTTAKLLSGATWSISYGDGSSSSGDVYTDTVSVGGLTVTGQAVESAKKVSSSFTEDSTIDGLLGLAFSTLNTVSPTQQKTFFDNAKASLDSPVFTADLGYHAPGTYNFGFIDTTAYTGSITYTAVSTKQGFWEWTSTGYAVGSGTFKSTSIDGIADTGTTLLYLPATVVSAYWAQVSGAKSSSSVGGYVFPCSATLPSFTFGVGSARIVIPGDYIDFGPISTGSSSCFGGIQSSAGIGINIFGDVALKAAFVVFNGATTPTLGFASK
Non polymer #2
A1CFM
InChI=1S/C9H13N5/c1-7-8(6-11-12-7)5-10-9-3-4-14(2)13-9/h3-4,6H,5H2,1-2H3,(H,10,13)(H,11,12)
InChI=1S/C9H13N5/c1-7-8(6-11-12-7)5-10-9-3-4-14(2)13-9/h3-4,6H,5H2,1-2H3,(H,10,13)(H,11,12)
SMILES: Cc1c(cn[nH]1)CNc2ccn(n2)C
Cc1c(cn[nH]1)CNc2ccn(n2)C
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
monomer
Download coordinates
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Model
Reference
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