2026-10-31_00000196
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ligand
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15HD
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004911;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1D
InChI=1S/C13H16N4/c1-2-11(9-3-4-9)17(7-1)13-10-5-6-14-12(10)15-8-16-13/h5-6,8-9,11H,1-4,7H2,(H,14,15,16)/t11-/m1/s1
InChI=1S/C13H16N4/c1-2-11(9-3-4-9)17(7-1)13-10-5-6-14-12(10)15-8-16-13/h5-6,8-9,11H,1-4,7H2,(H,14,15,16)/t11-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CC4
c1c[nH]c2c1c(ncn2)N3CCC[C@@H]3C4CC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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