2026-10-31_00000271
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ligand
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15KA
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005443;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSH
InChI=1S/C13H16N4O2/c18-6-8-2-1-3-10(8)17-13(19)11-9-4-5-14-12(9)16-7-15-11/h4-5,7-8,10,18H,1-3,6H2,(H,17,19)(H,14,15,16)/t8-,10-/m1/s1
InChI=1S/C13H16N4O2/c18-6-8-2-1-3-10(8)17-13(19)11-9-4-5-14-12(9)16-7-15-11/h4-5,7-8,10,18H,1-3,6H2,(H,17,19)(H,14,15,16)/t8-,10-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)C(=O)N[C@@H]3CCC[C@@H]3CO
c1c[nH]c2c1c(ncn2)C(=O)N[C@@H]3CCC[C@@H]3CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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