2026-10-31_00000276
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ligand
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15KF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005175;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D21
InChI=1S/C14H20N4O/c1-9-7-10-12(17-9)15-8-16-13(10)18-6-4-5-11(18)14(2,3)19/h7-8,11,19H,4-6H2,1-3H3,(H,15,16,17)/t11-/m0/s1
InChI=1S/C14H20N4O/c1-9-7-10-12(17-9)15-8-16-13(10)18-6-4-5-11(18)14(2,3)19/h7-8,11,19H,4-6H2,1-3H3,(H,15,16,17)/t11-/m0/s1
SMILES: Cc1cc2c([nH]1)ncnc2N3CCC[C@H]3C(C)(C)O
Cc1cc2c([nH]1)ncnc2N3CCC[C@H]3C(C)(C)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%