2026-10-31_00000361
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ligand
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15NM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005425;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DT8
InChI=1S/C15H13N5O3/c21-14(12-10-3-4-16-13(10)19-8-18-12)17-7-9-1-2-11-15(20-9)23-6-5-22-11/h1-4,8H,5-7H2,(H,17,21)(H,16,18,19)
InChI=1S/C15H13N5O3/c21-14(12-10-3-4-16-13(10)19-8-18-12)17-7-9-1-2-11-15(20-9)23-6-5-22-11/h1-4,8H,5-7H2,(H,17,21)(H,16,18,19)
SMILES: c1cc2c(nc1CNC(=O)c3c4cc[nH]c4ncn3)OCCO2
c1cc2c(nc1CNC(=O)c3c4cc[nH]c4ncn3)OCCO2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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