2026-10-31_00000186
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ligand
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15GT
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004892;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0I
InChI=1S/C14H13N5O/c1-9-2-3-10(16-6-9)7-17-14(20)12-11-4-5-15-13(11)19-8-18-12/h2-6,8H,7H2,1H3,(H,17,20)(H,15,18,19)
InChI=1S/C14H13N5O/c1-9-2-3-10(16-6-9)7-17-14(20)12-11-4-5-15-13(11)19-8-18-12/h2-6,8H,7H2,1H3,(H,17,20)(H,15,18,19)
SMILES: Cc1ccc(nc1)CNC(=O)c2c3cc[nH]c3ncn2
Cc1ccc(nc1)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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