2026-10-31_00000419
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ligand
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15PS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005576;
X-ray diffraction 0.96Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PP3
InChI=1S/C17H18N4O/c1-2-5-13(6-3-1)22-14-7-4-10-21(11-14)17-15-8-9-18-16(15)19-12-20-17/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,18,19,20)/t14-/m1/s1
InChI=1S/C17H18N4O/c1-2-5-13(6-3-1)22-14-7-4-10-21(11-14)17-15-8-9-18-16(15)19-12-20-17/h1-3,5-6,8-9,12,14H,4,7,10-11H2,(H,18,19,20)/t14-/m1/s1
SMILES: c1ccc(cc1)O[C@@H]2CCCN(C2)c3c4cc[nH]c4ncn3
c1ccc(cc1)O[C@@H]2CCCN(C2)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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