2025-08-16_00000097
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ligand
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7HQD
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_48;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJK
InChI=1S/C19H14N4OS/c24-17(14-4-2-1-3-5-14)15-8-6-13(7-9-15)10-25-19-16-18(21-11-20-16)22-12-23-19/h1-9,11-12H,10H2,(H,20,21,22,23)
InChI=1S/C19H14N4OS/c24-17(14-4-2-1-3-5-14)15-8-6-13(7-9-15)10-25-19-16-18(21-11-20-16)22-12-23-19/h1-9,11-12H,10H2,(H,20,21,22,23)
SMILES: c1ccc(cc1)C(=O)c2ccc(cc2)CSc3c4c([nH]cn4)ncn3
c1ccc(cc1)C(=O)c2ccc(cc2)CSc3c4c([nH]cn4)ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%