2026-10-31_00000193
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ligand
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15HA
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004904;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DU8
InChI=1S/C18H18N4O2/c23-17(14-13-7-10-19-16(13)21-11-20-14)22-15(18(24)8-4-9-18)12-5-2-1-3-6-12/h1-3,5-7,10-11,15,24H,4,8-9H2,(H,22,23)(H,19,20,21)/t15-/m1/s1
InChI=1S/C18H18N4O2/c23-17(14-13-7-10-19-16(13)21-11-20-14)22-15(18(24)8-4-9-18)12-5-2-1-3-6-12/h1-3,5-7,10-11,15,24H,4,8-9H2,(H,22,23)(H,19,20,21)/t15-/m1/s1
SMILES: c1ccc(cc1)[C@H](C2(CCC2)O)NC(=O)c3c4cc[nH]c4ncn3
c1ccc(cc1)[C@H](C2(CCC2)O)NC(=O)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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