2026-10-31_00000421
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ligand
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15PU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005582;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PP5
InChI=1S/C12H14N4O/c1-4-13-10-9(1)11(15-8-14-10)16-5-2-12(16)3-6-17-7-12/h1,4,8H,2-3,5-7H2,(H,13,14,15)/t12-/m0/s1
InChI=1S/C12H14N4O/c1-4-13-10-9(1)11(15-8-14-10)16-5-2-12(16)3-6-17-7-12/h1,4,8H,2-3,5-7H2,(H,13,14,15)/t12-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CC[C@@]34CCOC4
c1c[nH]c2c1c(ncn2)N3CC[C@@]34CCOC4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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