2026-10-31_00000431
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ligand
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15QE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005815;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PRI
InChI=1S/C14H18N4O/c19-14(6-9-1-2-10(14)5-9)7-16-13-11-3-4-15-12(11)17-8-18-13/h3-4,8-10,19H,1-2,5-7H2,(H2,15,16,17,18)/t9-,10+,14-/m1/s1
InChI=1S/C14H18N4O/c19-14(6-9-1-2-10(14)5-9)7-16-13-11-3-4-15-12(11)17-8-18-13/h3-4,8-10,19H,1-2,5-7H2,(H2,15,16,17,18)/t9-,10+,14-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)NC[C@@]3(C[C@@H]4CC[C@H]3C4)O
c1c[nH]c2c1c(ncn2)NC[C@@]3(C[C@@H]4CC[C@H]3C4)O
Biounit #1
monomer
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Biounit #2
monomer
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Model
Reference
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