2026-10-31_00000208
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ligand
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15HP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004949;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PSE
InChI=1S/C14H18N4O2/c19-9-8-14(6-1-2-7-14)17-13(20)11-4-3-5-12-15-10-16-18(11)12/h3-5,10,19H,1-2,6-9H2,(H,17,20)
InChI=1S/C14H18N4O2/c19-9-8-14(6-1-2-7-14)17-13(20)11-4-3-5-12-15-10-16-18(11)12/h3-5,10,19H,1-2,6-9H2,(H,17,20)
SMILES: c1cc(n2c(c1)ncn2)C(=O)NC3(CCCC3)CCO
c1cc(n2c(c1)ncn2)C(=O)NC3(CCCC3)CCO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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