2026-10-31_00000358
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ligand
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15NJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005417;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUD
InChI=1S/C12H20N4O/c1-12(2,17)9-5-4-6-16(9)11-7-10(13-3)14-8-15-11/h7-9,17H,4-6H2,1-3H3,(H,13,14,15)/t9-/m0/s1
InChI=1S/C12H20N4O/c1-12(2,17)9-5-4-6-16(9)11-7-10(13-3)14-8-15-11/h7-9,17H,4-6H2,1-3H3,(H,13,14,15)/t9-/m0/s1
SMILES: CC(C)([C@@H]1CCCN1c2cc(ncn2)NC)O
CC(C)([C@@H]1CCCN1c2cc(ncn2)NC)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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