2026-10-31_00000192
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ligand
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15GZ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004903;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1C
InChI=1S/C13H16N4O2/c18-9-5-8(6-9)1-3-15-13(19)11-10-2-4-14-12(10)17-7-16-11/h2,4,7-9,18H,1,3,5-6H2,(H,15,19)(H,14,16,17)/t8-,9-
InChI=1S/C13H16N4O2/c18-9-5-8(6-9)1-3-15-13(19)11-10-2-4-14-12(10)17-7-16-11/h2,4,7-9,18H,1,3,5-6H2,(H,15,19)(H,14,16,17)/t8-,9-
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NCCC3CC(C3)O
c1c[nH]c2c1c(ncn2)C(=O)NCCC3CC(C3)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%