2026-10-31_00000194
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ligand
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15HB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004905;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DU9
InChI=1S/C14H13N5O/c1-9-3-2-4-10(19-9)7-16-14(20)12-11-5-6-15-13(11)18-8-17-12/h2-6,8H,7H2,1H3,(H,16,20)(H,15,17,18)
InChI=1S/C14H13N5O/c1-9-3-2-4-10(19-9)7-16-14(20)12-11-5-6-15-13(11)18-8-17-12/h2-6,8H,7H2,1H3,(H,16,20)(H,15,17,18)
SMILES: Cc1cccc(n1)CNC(=O)c2c3cc[nH]c3ncn2
Cc1cccc(n1)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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