2026-10-31_00000177
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ligand
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15GJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004874;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DX6
InChI=1S/C12H16N4O2/c1-7(2)9(17)5-14-12(18)10-8-3-4-13-11(8)16-6-15-10/h3-4,6-7,9,17H,5H2,1-2H3,(H,14,18)(H,13,15,16)/t9-/m0/s1
InChI=1S/C12H16N4O2/c1-7(2)9(17)5-14-12(18)10-8-3-4-13-11(8)16-6-15-10/h3-4,6-7,9,17H,5H2,1-2H3,(H,14,18)(H,13,15,16)/t9-/m0/s1
SMILES: CC(C)[C@H](CNC(=O)c1c2cc[nH]c2ncn1)O
CC(C)[C@H](CNC(=O)c1c2cc[nH]c2ncn1)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%