2026-10-31_00000205
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ligand
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15HM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004938;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0R
InChI=1S/C14H11F2N5O2/c15-14(16)23-9-2-1-8(18-6-9)5-19-13(22)11-10-3-4-17-12(10)21-7-20-11/h1-4,6-7,14H,5H2,(H,19,22)(H,17,20,21)
InChI=1S/C14H11F2N5O2/c15-14(16)23-9-2-1-8(18-6-9)5-19-13(22)11-10-3-4-17-12(10)21-7-20-11/h1-4,6-7,14H,5H2,(H,19,22)(H,17,20,21)
SMILES: c1cc(ncc1OC(F)F)CNC(=O)c2c3cc[nH]c3ncn2
c1cc(ncc1OC(F)F)CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%