2026-10-31_00000022
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ligand
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15AK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000560;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTP
InChI=1S/C14H13N5O/c20-14-10(5-6-15-14)19-13-11-8-3-1-2-4-9(8)18-12(11)16-7-17-13/h1-4,7,10H,5-6H2,(H,15,20)(H2,16,17,18,19)/t10-/m1/s1
InChI=1S/C14H13N5O/c20-14-10(5-6-15-14)19-13-11-8-3-1-2-4-9(8)18-12(11)16-7-17-13/h1-4,7,10H,5-6H2,(H,15,20)(H2,16,17,18,19)/t10-/m1/s1
SMILES: c1ccc2c(c1)c3c([nH]2)ncnc3N[C@@H]4CCNC4=O
c1ccc2c(c1)c3c([nH]2)ncnc3N[C@@H]4CCNC4=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%