2025-08-16_00000102
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ligand
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7HQI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1690_88;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJZ
InChI=1S/C11H13N3O/c1-7(3-4-15)10-9-5-8(2)14-11(9)13-6-12-10/h5-6,15H,1,3-4H2,2H3,(H,12,13,14)
InChI=1S/C11H13N3O/c1-7(3-4-15)10-9-5-8(2)14-11(9)13-6-12-10/h5-6,15H,1,3-4H2,2H3,(H,12,13,14)
SMILES: Cc1cc2c(ncnc2[nH]1)C(=C)CCO
Cc1cc2c(ncnc2[nH]1)C(=C)CCO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%