2026-10-31_00000413
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ligand
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15PM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005548;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PSG
InChI=1S/C12H15N5O3S/c18-12(10-9-11(16-6-14-9)17-7-15-10)13-4-3-8-2-1-5-21(8,19)20/h6-8H,1-5H2,(H,13,18)(H,14,15,16,17)/t8-/m0/s1
InChI=1S/C12H15N5O3S/c18-12(10-9-11(16-6-14-9)17-7-15-10)13-4-3-8-2-1-5-21(8,19)20/h6-8H,1-5H2,(H,13,18)(H,14,15,16,17)/t8-/m0/s1
SMILES: c1[nH]c2c(n1)c(ncn2)C(=O)NCC[C@@H]3CCCS3(=O)=O
c1[nH]c2c(n1)c(ncn2)C(=O)NCC[C@@H]3CCCS3(=O)=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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