2026-10-31_00000387
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ligand
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15OM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004991;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTA
InChI=1S/C13H10FN5O/c14-10-3-1-2-8(19-10)6-16-13(20)11-9-4-5-15-12(9)18-7-17-11/h1-5,7H,6H2,(H,16,20)(H,15,17,18)
InChI=1S/C13H10FN5O/c14-10-3-1-2-8(19-10)6-16-13(20)11-9-4-5-15-12(9)18-7-17-11/h1-5,7H,6H2,(H,16,20)(H,15,17,18)
SMILES: c1cc(nc(c1)F)CNC(=O)c2c3cc[nH]c3ncn2
c1cc(nc(c1)F)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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