2026-10-31_00000176
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ligand
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15GI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004872;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DX5
InChI=1S/C13H14N4O2/c18-7-13(4-1-2-5-13)17-12(19)10-9-3-6-14-11(9)16-8-15-10/h1-3,6,8,18H,4-5,7H2,(H,17,19)(H,14,15,16)
InChI=1S/C13H14N4O2/c18-7-13(4-1-2-5-13)17-12(19)10-9-3-6-14-11(9)16-8-15-10/h1-3,6,8,18H,4-5,7H2,(H,17,19)(H,14,15,16)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NC3(CC=CC3)CO
c1c[nH]c2c1c(ncn2)C(=O)NC3(CC=CC3)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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