2026-10-31_00000293
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ligand
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15KW
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005217;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSB
InChI=1S/C13H18N4/c1-13(2)5-3-7-17(8-13)12-10-4-6-14-11(10)15-9-16-12/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,15,16)
InChI=1S/C13H18N4/c1-13(2)5-3-7-17(8-13)12-10-4-6-14-11(10)15-9-16-12/h4,6,9H,3,5,7-8H2,1-2H3,(H,14,15,16)
SMILES: CC1(CCCN(C1)c2c3cc[nH]c3ncn2)C
CC1(CCCN(C1)c2c3cc[nH]c3ncn2)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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