2026-10-31_00000203
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ligand
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15HK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004920;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D1K
InChI=1S/C14H12N4O2/c19-10-3-1-2-9(6-10)7-16-14(20)12-11-4-5-15-13(11)18-8-17-12/h1-6,8,19H,7H2,(H,16,20)(H,15,17,18)
InChI=1S/C14H12N4O2/c19-10-3-1-2-9(6-10)7-16-14(20)12-11-4-5-15-13(11)18-8-17-12/h1-6,8,19H,7H2,(H,16,20)(H,15,17,18)
SMILES: c1cc(cc(c1)O)CNC(=O)c2c3cc[nH]c3ncn2
c1cc(cc(c1)O)CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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