2026-10-31_00000417
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ligand
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15PQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005570;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PP1
InChI=1S/C12H13N5O2/c18-9-3-7(4-14-9)5-15-12(19)10-8-1-2-13-11(8)17-6-16-10/h1-2,6-7H,3-5H2,(H,14,18)(H,15,19)(H,13,16,17)/t7-/m0/s1
InChI=1S/C12H13N5O2/c18-9-3-7(4-14-9)5-15-12(19)10-8-1-2-13-11(8)17-6-16-10/h1-2,6-7H,3-5H2,(H,14,18)(H,15,19)(H,13,16,17)/t7-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NC[C@H]3CC(=O)NC3
c1c[nH]c2c1c(ncn2)C(=O)NC[C@H]3CC(=O)NC3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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