2026-10-31_00000380
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ligand
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15OF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005490;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DUC
InChI=1S/C13H16N4O2/c1-8-4-9(13(18)19)6-17(5-8)12-10-2-3-14-11(10)15-7-16-12/h2-3,7-9H,4-6H2,1H3,(H,18,19)(H,14,15,16)/t8-,9-/m0/s1
InChI=1S/C13H16N4O2/c1-8-4-9(13(18)19)6-17(5-8)12-10-2-3-14-11(10)15-7-16-12/h2-3,7-9H,4-6H2,1H3,(H,18,19)(H,14,15,16)/t8-,9-/m0/s1
SMILES: C[C@H]1C[C@@H](CN(C1)c2c3cc[nH]c3ncn2)C(=O)O
C[C@H]1C[C@@H](CN(C1)c2c3cc[nH]c3ncn2)C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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