2026-10-31_00000078
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ligand
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15CO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003636;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXX
InChI=1S/C17H20N4O/c1-17(2,22)13-8-5-9-21(13)16-14-11-6-3-4-7-12(11)20-15(14)18-10-19-16/h3-4,6-7,10,13,22H,5,8-9H2,1-2H3,(H,18,19,20)/t13-/m0/s1
InChI=1S/C17H20N4O/c1-17(2,22)13-8-5-9-21(13)16-14-11-6-3-4-7-12(11)20-15(14)18-10-19-16/h3-4,6-7,10,13,22H,5,8-9H2,1-2H3,(H,18,19,20)/t13-/m0/s1
SMILES: CC(C)([C@@H]1CCCN1c2c3c4ccccc4[nH]c3ncn2)O
CC(C)([C@@H]1CCCN1c2c3c4ccccc4[nH]c3ncn2)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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