2026-10-31_00000428
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ligand
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15QB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005811;
X-ray diffraction 0.96Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PR9
InChI=1S/C16H18N4O/c1-11(16(2,21)12-6-4-3-5-7-12)20-15-13-8-9-17-14(13)18-10-19-15/h3-11,21H,1-2H3,(H2,17,18,19,20)/t11-,16-/m0/s1
InChI=1S/C16H18N4O/c1-11(16(2,21)12-6-4-3-5-7-12)20-15-13-8-9-17-14(13)18-10-19-15/h3-11,21H,1-2H3,(H2,17,18,19,20)/t11-,16-/m0/s1
SMILES: C[C@@H]([C@@](C)(c1ccccc1)O)Nc2c3cc[nH]c3ncn2
C[C@@H]([C@@](C)(c1ccccc1)O)Nc2c3cc[nH]c3ncn2
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
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