2026-10-31_00000222
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ligand
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15ID
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005014;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D09
InChI=1S/C14H20N4O/c19-8-6-14(4-1-2-5-14)9-16-13-11-3-7-15-12(11)17-10-18-13/h3,7,10,19H,1-2,4-6,8-9H2,(H2,15,16,17,18)
InChI=1S/C14H20N4O/c19-8-6-14(4-1-2-5-14)9-16-13-11-3-7-15-12(11)17-10-18-13/h3,7,10,19H,1-2,4-6,8-9H2,(H2,15,16,17,18)
SMILES: c1c[nH]c2c1c(ncn2)NCC3(CCCC3)CCO
c1c[nH]c2c1c(ncn2)NCC3(CCCC3)CCO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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