2026-10-31_00000139
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ligand
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15EX
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005778;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DVH
InChI=1S/C13H10ClN5O/c14-8-1-2-9(16-5-8)6-17-13(20)11-10-3-4-15-12(10)19-7-18-11/h1-5,7H,6H2,(H,17,20)(H,15,18,19)
InChI=1S/C13H10ClN5O/c14-8-1-2-9(16-5-8)6-17-13(20)11-10-3-4-15-12(10)19-7-18-11/h1-5,7H,6H2,(H,17,20)(H,15,18,19)
SMILES: c1cc(ncc1Cl)CNC(=O)c2c3cc[nH]c3ncn2
c1cc(ncc1Cl)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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