2026-01-24_00000008
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ligand
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13RP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004272;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CXY
InChI=1S/C15H18N6O/c1-9(2)13(6-22)21-15-11-3-12(10-4-16-7-17-5-10)20-14(11)18-8-19-15/h3-5,7-9,13,22H,6H2,1-2H3,(H2,18,19,20,21)/t13-/m0/s1
InChI=1S/C15H18N6O/c1-9(2)13(6-22)21-15-11-3-12(10-4-16-7-17-5-10)20-14(11)18-8-19-15/h3-5,7-9,13,22H,6H2,1-2H3,(H2,18,19,20,21)/t13-/m0/s1
SMILES: CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cncnc3
CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cncnc3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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