2026-10-31_00000080
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ligand
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15CQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003694;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DS2
InChI=1S/C15H17N5O/c16-15-19-13-12(6-7-17-13)14(20-15)18-11(9-21)8-10-4-2-1-3-5-10/h1-7,11,21H,8-9H2,(H4,16,17,18,19,20)/t11-/m0/s1
InChI=1S/C15H17N5O/c16-15-19-13-12(6-7-17-13)14(20-15)18-11(9-21)8-10-4-2-1-3-5-10/h1-7,11,21H,8-9H2,(H4,16,17,18,19,20)/t11-/m0/s1
SMILES: c1ccc(cc1)C[C@@H](CO)Nc2c3cc[nH]c3nc(n2)N
c1ccc(cc1)C[C@@H](CO)Nc2c3cc[nH]c3nc(n2)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%