2026-10-31_00000204
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ligand
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15HL
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004921;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0Q
InChI=1S/C13H11N5O2/c19-12-8(2-1-4-15-12)6-16-13(20)10-9-3-5-14-11(9)18-7-17-10/h1-5,7H,6H2,(H,15,19)(H,16,20)(H,14,17,18)
InChI=1S/C13H11N5O2/c19-12-8(2-1-4-15-12)6-16-13(20)10-9-3-5-14-11(9)18-7-17-10/h1-5,7H,6H2,(H,15,19)(H,16,20)(H,14,17,18)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NCC3=CC=CNC3=O
c1c[nH]c2c1c(ncn2)C(=O)NCC3=CC=CNC3=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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