2026-10-31_00000212
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ligand
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15HT
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004960;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUS
InChI=1S/C16H15N5O2/c1-10(22)21-12-4-2-3-11(7-12)8-18-16(23)14-13-5-6-17-15(13)20-9-19-14/h2-7,9H,8H2,1H3,(H,18,23)(H,21,22)(H,17,19,20)
InChI=1S/C16H15N5O2/c1-10(22)21-12-4-2-3-11(7-12)8-18-16(23)14-13-5-6-17-15(13)20-9-19-14/h2-7,9H,8H2,1H3,(H,18,23)(H,21,22)(H,17,19,20)
SMILES: CC(=O)Nc1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
CC(=O)Nc1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%