2026-10-31_00000420
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ligand
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15PT
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005578;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PP4
InChI=1S/C12H16N4O/c17-12(3-1-4-12)5-7-14-11-9-2-6-13-10(9)15-8-16-11/h2,6,8,17H,1,3-5,7H2,(H2,13,14,15,16)
InChI=1S/C12H16N4O/c17-12(3-1-4-12)5-7-14-11-9-2-6-13-10(9)15-8-16-11/h2,6,8,17H,1,3-5,7H2,(H2,13,14,15,16)
SMILES: c1c[nH]c2c1c(ncn2)NCCC3(CCC3)O
c1c[nH]c2c1c(ncn2)NCCC3(CCC3)O
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%