2026-10-31_00000201
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ligand
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15HI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004923;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1I
InChI=1S/C16H16N4O/c1-10-3-4-12(7-11(10)2)8-18-16(21)14-13-5-6-17-15(13)20-9-19-14/h3-7,9H,8H2,1-2H3,(H,18,21)(H,17,19,20)
InChI=1S/C16H16N4O/c1-10-3-4-12(7-11(10)2)8-18-16(21)14-13-5-6-17-15(13)20-9-19-14/h3-7,9H,8H2,1-2H3,(H,18,21)(H,17,19,20)
SMILES: Cc1ccc(cc1C)CNC(=O)c2c3cc[nH]c3ncn2
Cc1ccc(cc1C)CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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