2026-10-31_00000457
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ligand
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15RE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005587;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQJ
InChI=1S/C13H17N3O3/c14-13(19)16-11-3-1-8(2-4-11)12(18)15-6-9-5-10(9)7-17/h1-4,9-10,17H,5-7H2,(H,15,18)(H3,14,16,19)/t9-,10-/m0/s1
InChI=1S/C13H17N3O3/c14-13(19)16-11-3-1-8(2-4-11)12(18)15-6-9-5-10(9)7-17/h1-4,9-10,17H,5-7H2,(H,15,18)(H3,14,16,19)/t9-,10-/m0/s1
SMILES: c1cc(ccc1C(=O)NC[C@@H]2C[C@H]2CO)NC(=O)N
c1cc(ccc1C(=O)NC[C@@H]2C[C@H]2CO)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%