2026-10-31_00000232
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ligand
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15IN
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005021;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUW
InChI=1S/C12H14N4O2/c17-7-12(4-5-12)6-13-11(18)9-2-1-3-10-14-8-15-16(9)10/h1-3,8,17H,4-7H2,(H,13,18)
InChI=1S/C12H14N4O2/c17-7-12(4-5-12)6-13-11(18)9-2-1-3-10-14-8-15-16(9)10/h1-3,8,17H,4-7H2,(H,13,18)
SMILES: c1cc(n2c(c1)ncn2)C(=O)NCC3(CC3)CO
c1cc(n2c(c1)ncn2)C(=O)NCC3(CC3)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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