2026-10-31_00000157
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ligand
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15FP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004804;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1Q
InChI=1S/C12H14N4O2/c17-9-4-8(5-9)6-13-12(18)10-2-1-3-11-14-7-15-16(10)11/h1-3,7-9,17H,4-6H2,(H,13,18)/t8-,9-
InChI=1S/C12H14N4O2/c17-9-4-8(5-9)6-13-12(18)10-2-1-3-11-14-7-15-16(10)11/h1-3,7-9,17H,4-6H2,(H,13,18)/t8-,9-
SMILES: c1cc(n2c(c1)ncn2)C(=O)NCC3CC(C3)O
c1cc(n2c(c1)ncn2)C(=O)NCC3CC(C3)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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