2026-10-31_00000362
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ligand
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15NN
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005428;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUA
InChI=1S/C16H17N5/c1-3-12(10-17-6-1)9-13-4-2-8-21(13)16-14-5-7-18-15(14)19-11-20-16/h1,3,5-7,10-11,13H,2,4,8-9H2,(H,18,19,20)/t13-/m1/s1
InChI=1S/C16H17N5/c1-3-12(10-17-6-1)9-13-4-2-8-21(13)16-14-5-7-18-15(14)19-11-20-16/h1,3,5-7,10-11,13H,2,4,8-9H2,(H,18,19,20)/t13-/m1/s1
SMILES: c1cc(cnc1)C[C@H]2CCCN2c3c4cc[nH]c4ncn3
c1cc(cnc1)C[C@H]2CCCN2c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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