2026-10-31_00000213
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ligand
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15HU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004961;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUT
InChI=1S/C13H20N4O/c1-8(2)10(13(3,4)18)17-12-9-5-6-14-11(9)15-7-16-12/h5-8,10,18H,1-4H3,(H2,14,15,16,17)/t10-/m0/s1
InChI=1S/C13H20N4O/c1-8(2)10(13(3,4)18)17-12-9-5-6-14-11(9)15-7-16-12/h5-8,10,18H,1-4H3,(H2,14,15,16,17)/t10-/m0/s1
SMILES: CC(C)[C@@H](C(C)(C)O)Nc1c2cc[nH]c2ncn1
CC(C)[C@@H](C(C)(C)O)Nc1c2cc[nH]c2ncn1
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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