2026-10-31_00000279
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ligand
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15KI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005183;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D3H
InChI=1S/C15H20N4O2/c20-10-15(7-2-1-3-8-15)9-16-14(21)12-5-4-6-13-17-11-18-19(12)13/h4-6,11,20H,1-3,7-10H2,(H,16,21)
InChI=1S/C15H20N4O2/c20-10-15(7-2-1-3-8-15)9-16-14(21)12-5-4-6-13-17-11-18-19(12)13/h4-6,11,20H,1-3,7-10H2,(H,16,21)
SMILES: c1cc(n2c(c1)ncn2)C(=O)NCC3(CCCCC3)CO
c1cc(n2c(c1)ncn2)C(=O)NCC3(CCCCC3)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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