2026-10-31_00000261
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ligand
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15JQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005189;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSS
InChI=1S/C15H20N4O/c1-2-12(20-9-11-3-4-11)8-19(7-1)15-13-5-6-16-14(13)17-10-18-15/h5-6,10-12H,1-4,7-9H2,(H,16,17,18)/t12-/m1/s1
InChI=1S/C15H20N4O/c1-2-12(20-9-11-3-4-11)8-19(7-1)15-13-5-6-16-14(13)17-10-18-15/h5-6,10-12H,1-4,7-9H2,(H,16,17,18)/t12-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)OCC4CC4
c1c[nH]c2c1c(ncn2)N3CCC[C@H](C3)OCC4CC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%