2026-10-31_00000367
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ligand
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15NS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005159;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXG
InChI=1S/C14H18N4O/c1-3-11(12-4-2-8-19-12)18(7-1)14-10-5-6-15-13(10)16-9-17-14/h5-6,9,11-12H,1-4,7-8H2,(H,15,16,17)/t11-,12+/m0/s1
InChI=1S/C14H18N4O/c1-3-11(12-4-2-8-19-12)18(7-1)14-10-5-6-15-13(10)16-9-17-14/h5-6,9,11-12H,1-4,7-8H2,(H,15,16,17)/t11-,12+/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@H]3[C@H]4CCCO4
c1c[nH]c2c1c(ncn2)N3CCC[C@H]3[C@H]4CCCO4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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