2026-10-31_00000385
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ligand
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15OK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005511;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTG
InChI=1S/C13H15F3N4O/c14-13(15,16)10(21)8-2-1-5-20(6-8)12-9-3-4-17-11(9)18-7-19-12/h3-4,7-8,10,21H,1-2,5-6H2,(H,17,18,19)/t8-,10-/m0/s1
InChI=1S/C13H15F3N4O/c14-13(15,16)10(21)8-2-1-5-20(6-8)12-9-3-4-17-11(9)18-7-19-12/h3-4,7-8,10,21H,1-2,5-6H2,(H,17,18,19)/t8-,10-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)[C@@H](C(F)(F)F)O
c1c[nH]c2c1c(ncn2)N3CCC[C@@H](C3)[C@@H](C(F)(F)F)O
Biounit #1
monomer
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Biounit #2
monomer
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Model
Reference
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