2025-08-16_00000100
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ligand
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7HQG
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_97;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJ1
InChI=1S/C12H8ClFN4S/c13-8-3-7(1-2-9(8)14)4-19-12-10-11(16-5-15-10)17-6-18-12/h1-3,5-6H,4H2,(H,15,16,17,18)
InChI=1S/C12H8ClFN4S/c13-8-3-7(1-2-9(8)14)4-19-12-10-11(16-5-15-10)17-6-18-12/h1-3,5-6H,4H2,(H,15,16,17,18)
SMILES: c1cc(c(cc1CSc2c3c([nH]cn3)ncn2)Cl)F
c1cc(c(cc1CSc2c3c([nH]cn3)ncn2)Cl)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%