2026-10-31_00000164
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ligand
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15FW
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004822;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DVK
InChI=1S/C11H12N4O3S/c16-11(15-7-2-4-19(17,18)5-7)9-8-1-3-12-10(8)14-6-13-9/h1,3,6-7H,2,4-5H2,(H,15,16)(H,12,13,14)/t7-/m1/s1
InChI=1S/C11H12N4O3S/c16-11(15-7-2-4-19(17,18)5-7)9-8-1-3-12-10(8)14-6-13-9/h1,3,6-7H,2,4-5H2,(H,15,16)(H,12,13,14)/t7-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)C(=O)N[C@@H]3CCS(=O)(=O)C3
c1c[nH]c2c1c(ncn2)C(=O)N[C@@H]3CCS(=O)(=O)C3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%