2026-10-31_00000386
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ligand
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15OL
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005513;
X-ray diffraction 1.03Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTH
InChI=1S/C13H15N7/c1-2-10(20-7-5-17-18-20)8-19(6-1)13-11-3-4-14-12(11)15-9-16-13/h3-5,7,9-10H,1-2,6,8H2,(H,14,15,16)/t10-/m0/s1
InChI=1S/C13H15N7/c1-2-10(20-7-5-17-18-20)8-19(6-1)13-11-3-4-14-12(11)15-9-16-13/h3-5,7,9-10H,1-2,6,8H2,(H,14,15,16)/t10-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)n4ccnn4
c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)n4ccnn4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%