2026-10-31_00000172
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ligand
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15GE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004853;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DU1
InChI=1S/C15H20N4O2/c20-9-8-11-4-1-2-5-12(11)18-15(21)13-6-3-7-14-16-10-17-19(13)14/h3,6-7,10-12,20H,1-2,4-5,8-9H2,(H,18,21)/t11-,12-/m0/s1
InChI=1S/C15H20N4O2/c20-9-8-11-4-1-2-5-12(11)18-15(21)13-6-3-7-14-16-10-17-19(13)14/h3,6-7,10-12,20H,1-2,4-5,8-9H2,(H,18,21)/t11-,12-/m0/s1
SMILES: c1cc(n2c(c1)ncn2)C(=O)N[C@H]3CCCC[C@H]3CCO
c1cc(n2c(c1)ncn2)C(=O)N[C@H]3CCCC[C@H]3CCO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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