2026-10-31_00000173
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ligand
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15GF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004857;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DU2
InChI=1S/C16H16N4O2/c21-9-7-13(11-4-2-1-3-5-11)20-16(22)14-12-6-8-17-15(12)19-10-18-14/h1-6,8,10,13,21H,7,9H2,(H,20,22)(H,17,18,19)/t13-/m1/s1
InChI=1S/C16H16N4O2/c21-9-7-13(11-4-2-1-3-5-11)20-16(22)14-12-6-8-17-15(12)19-10-18-14/h1-6,8,10,13,21H,7,9H2,(H,20,22)(H,17,18,19)/t13-/m1/s1
SMILES: c1ccc(cc1)[C@@H](CCO)NC(=O)c2c3cc[nH]c3ncn2
c1ccc(cc1)[C@@H](CCO)NC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%