2026-10-31_00000136
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ligand
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15EU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005768;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXZ
InChI=1S/C12H10N6O/c19-12(16-6-9-13-3-1-4-14-9)10-8-2-5-15-11(8)18-7-17-10/h1-5,7H,6H2,(H,16,19)(H,15,17,18)
InChI=1S/C12H10N6O/c19-12(16-6-9-13-3-1-4-14-9)10-8-2-5-15-11(8)18-7-17-10/h1-5,7H,6H2,(H,16,19)(H,15,17,18)
SMILES: c1cnc(nc1)CNC(=O)c2c3cc[nH]c3ncn2
c1cnc(nc1)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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