2026-10-31_00000076
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ligand
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15CM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003723;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXV
InChI=1S/C13H16F2N4O/c1-7-8(2)18-11-10(7)12(17-6-16-11)19-5-13(14,15)3-9(19)4-20/h6,9,20H,3-5H2,1-2H3,(H,16,17,18)/t9-/m0/s1
InChI=1S/C13H16F2N4O/c1-7-8(2)18-11-10(7)12(17-6-16-11)19-5-13(14,15)3-9(19)4-20/h6,9,20H,3-5H2,1-2H3,(H,16,17,18)/t9-/m0/s1
SMILES: Cc1c([nH]c2c1c(ncn2)N3CC(C[C@H]3CO)(F)F)C
Cc1c([nH]c2c1c(ncn2)N3CC(C[C@H]3CO)(F)F)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%