2026-10-31_00000263
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ligand
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15JS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005141;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSU
InChI=1S/C14H20N4O/c1-10(2)19-11-4-3-7-18(8-11)14-12-5-6-15-13(12)16-9-17-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,15,16,17)/t11-/m1/s1
InChI=1S/C14H20N4O/c1-10(2)19-11-4-3-7-18(8-11)14-12-5-6-15-13(12)16-9-17-14/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,15,16,17)/t11-/m1/s1
SMILES: CC(C)O[C@@H]1CCCN(C1)c2c3cc[nH]c3ncn2
CC(C)O[C@@H]1CCCN(C1)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%