2026-10-31_00000405
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ligand
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15PE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005517;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4G
InChI=1S/C11H12N4O2/c16-11(17)7-2-4-15(5-7)10-8-1-3-12-9(8)13-6-14-10/h1,3,6-7H,2,4-5H2,(H,16,17)(H,12,13,14)/t7-/m1/s1
InChI=1S/C11H12N4O2/c16-11(17)7-2-4-15(5-7)10-8-1-3-12-9(8)13-6-14-10/h1,3,6-7H,2,4-5H2,(H,16,17)(H,12,13,14)/t7-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)C(=O)O
c1c[nH]c2c1c(ncn2)N3CC[C@H](C3)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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