2026-10-31_00000108
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ligand
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15DS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004205;
X-ray diffraction 1.16Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DT6
InChI=1S/C16H18N6O/c1-16(2)7-6-11(23)22(16)21-15-12-9-4-3-5-10(17)13(9)20-14(12)18-8-19-15/h3-5,8H,6-7,17H2,1-2H3,(H2,18,19,20,21)
InChI=1S/C16H18N6O/c1-16(2)7-6-11(23)22(16)21-15-12-9-4-3-5-10(17)13(9)20-14(12)18-8-19-15/h3-5,8H,6-7,17H2,1-2H3,(H2,18,19,20,21)
SMILES: CC1(CCC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)N)C
CC1(CCC(=O)N1Nc2c3c4cccc(c4[nH]c3ncn2)N)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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