2026-10-31_00000211
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ligand
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15HS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004957;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQW
InChI=1S/C17H15F3N4O2/c18-17(19,20)9-26-8-12-3-1-2-11(6-12)7-22-16(25)14-13-4-5-21-15(13)24-10-23-14/h1-6,10H,7-9H2,(H,22,25)(H,21,23,24)
InChI=1S/C17H15F3N4O2/c18-17(19,20)9-26-8-12-3-1-2-11(6-12)7-22-16(25)14-13-4-5-21-15(13)24-10-23-14/h1-6,10H,7-9H2,(H,22,25)(H,21,23,24)
SMILES: c1cc(cc(c1)COCC(F)(F)F)CNC(=O)c2c3cc[nH]c3ncn2
c1cc(cc(c1)COCC(F)(F)F)CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%