2026-10-31_00000298
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ligand
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15LB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005228;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYF
InChI=1S/C13H16N4O2/c1-3-14-11-10(1)12(16-8-15-11)17-4-2-9(7-17)13-18-5-6-19-13/h1,3,8-9,13H,2,4-7H2,(H,14,15,16)/t9-/m0/s1
InChI=1S/C13H16N4O2/c1-3-14-11-10(1)12(16-8-15-11)17-4-2-9(7-17)13-18-5-6-19-13/h1,3,8-9,13H,2,4-7H2,(H,14,15,16)/t9-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)C4OCCO4
c1c[nH]c2c1c(ncn2)N3CC[C@@H](C3)C4OCCO4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%