2026-10-31_00000445
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ligand
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15QS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005837;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PRO
InChI=1S/C19H22N4O/c24-19(9-4-5-10-19)13-23(12-15-6-2-1-3-7-15)18-16-8-11-20-17(16)21-14-22-18/h1-3,6-8,11,14,24H,4-5,9-10,12-13H2,(H,20,21,22)
InChI=1S/C19H22N4O/c24-19(9-4-5-10-19)13-23(12-15-6-2-1-3-7-15)18-16-8-11-20-17(16)21-14-22-18/h1-3,6-8,11,14,24H,4-5,9-10,12-13H2,(H,20,21,22)
SMILES: c1ccc(cc1)CN(CC2(CCCC2)O)c3c4cc[nH]c4ncn3
c1ccc(cc1)CN(CC2(CCCC2)O)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%