2026-10-31_00000422
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ligand
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15PV
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005799;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PP7
InChI=1S/C16H18N4/c1-16(2,12-6-4-3-5-7-12)10-18-15-13-8-9-17-14(13)19-11-20-15/h3-9,11H,10H2,1-2H3,(H2,17,18,19,20)
InChI=1S/C16H18N4/c1-16(2,12-6-4-3-5-7-12)10-18-15-13-8-9-17-14(13)19-11-20-15/h3-9,11H,10H2,1-2H3,(H2,17,18,19,20)
SMILES: CC(C)(CNc1c2cc[nH]c2ncn1)c3ccccc3
CC(C)(CNc1c2cc[nH]c2ncn1)c3ccccc3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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