2025-08-16_00000099
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ligand
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7HQF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1717_16;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BJS
InChI=1S/C13H10F2N4S/c14-11(15)9-3-1-2-8(4-9)5-20-13-10-12(17-6-16-10)18-7-19-13/h1-4,6-7,11H,5H2,(H,16,17,18,19)
InChI=1S/C13H10F2N4S/c14-11(15)9-3-1-2-8(4-9)5-20-13-10-12(17-6-16-10)18-7-19-13/h1-4,6-7,11H,5H2,(H,16,17,18,19)
SMILES: c1cc(cc(c1)C(F)F)CSc2c3c([nH]cn3)ncn2
c1cc(cc(c1)C(F)F)CSc2c3c([nH]cn3)ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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