2026-10-31_00000389
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ligand
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15OO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005661;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQ2
InChI=1S/C14H17N3O4/c1-8-6-17(7-11(8)13(19)20)12(18)9-2-4-10(5-3-9)16-14(15)21/h2-5,8,11H,6-7H2,1H3,(H,19,20)(H3,15,16,21)/t8-,11-/m0/s1
InChI=1S/C14H17N3O4/c1-8-6-17(7-11(8)13(19)20)12(18)9-2-4-10(5-3-9)16-14(15)21/h2-5,8,11H,6-7H2,1H3,(H,19,20)(H3,15,16,21)/t8-,11-/m0/s1
SMILES: C[C@H]1CN(C[C@@H]1C(=O)O)C(=O)c2ccc(cc2)NC(=O)N
C[C@H]1CN(C[C@@H]1C(=O)O)C(=O)c2ccc(cc2)NC(=O)N
Biounit #1
monomer
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Biounit #2
monomer
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Model
Reference
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