2026-10-31_00000235
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ligand
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15IQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005038;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D13
InChI=1S/C16H18N4O/c1-2-13(14(21)11-6-4-3-5-7-11)20-16-12-8-9-17-15(12)18-10-19-16/h3-10,13-14,21H,2H2,1H3,(H2,17,18,19,20)/t13-,14+/m1/s1
InChI=1S/C16H18N4O/c1-2-13(14(21)11-6-4-3-5-7-11)20-16-12-8-9-17-15(12)18-10-19-16/h3-10,13-14,21H,2H2,1H3,(H2,17,18,19,20)/t13-,14+/m1/s1
SMILES: CC[C@H]([C@H](c1ccccc1)O)Nc2c3cc[nH]c3ncn2
CC[C@H]([C@H](c1ccccc1)O)Nc2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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