2026-10-31_00000259
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ligand
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15JO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005165;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSQ
InChI=1S/C15H20N4O3/c1-15(2,21)11-5-4-6-19(11)13-9-7-10(14(20)22-3)18-12(9)16-8-17-13/h7-8,11,21H,4-6H2,1-3H3,(H,16,17,18)/t11-/m0/s1
InChI=1S/C15H20N4O3/c1-15(2,21)11-5-4-6-19(11)13-9-7-10(14(20)22-3)18-12(9)16-8-17-13/h7-8,11,21H,4-6H2,1-3H3,(H,16,17,18)/t11-/m0/s1
SMILES: CC(C)([C@@H]1CCCN1c2c3cc([nH]c3ncn2)C(=O)OC)O
CC(C)([C@@H]1CCCN1c2c3cc([nH]c3ncn2)C(=O)OC)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%