2026-10-31_00000406
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ligand
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15PF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005522;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTD
InChI=1S/C15H20N4O2/c20-10-9-15(7-2-1-3-8-15)18-14(21)12-5-4-6-13-16-11-17-19(12)13/h4-6,11,20H,1-3,7-10H2,(H,18,21)
InChI=1S/C15H20N4O2/c20-10-9-15(7-2-1-3-8-15)18-14(21)12-5-4-6-13-16-11-17-19(12)13/h4-6,11,20H,1-3,7-10H2,(H,18,21)
SMILES: c1cc(n2c(c1)ncn2)C(=O)NC3(CCCCC3)CCO
c1cc(n2c(c1)ncn2)C(=O)NC3(CCCCC3)CCO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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