2026-10-31_00000287
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ligand
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15KQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005197;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2P
InChI=1S/C17H19N5O/c1-11(2)22-13-5-3-4-12(8-13)9-19-17(23)15-14-6-7-18-16(14)21-10-20-15/h3-8,10-11,22H,9H2,1-2H3,(H,19,23)(H,18,20,21)
InChI=1S/C17H19N5O/c1-11(2)22-13-5-3-4-12(8-13)9-19-17(23)15-14-6-7-18-16(14)21-10-20-15/h3-8,10-11,22H,9H2,1-2H3,(H,19,23)(H,18,20,21)
SMILES: CC(C)Nc1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
CC(C)Nc1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%