2026-10-31_00000105
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ligand
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15DP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004118;
X-ray diffraction 1.08Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTZ
InChI=1S/C13H17IN4O/c14-10-6-9-11(16-8-17-12(9)18-10)15-7-13(19)4-2-1-3-5-13/h6,8,19H,1-5,7H2,(H2,15,16,17,18)
InChI=1S/C13H17IN4O/c14-10-6-9-11(16-8-17-12(9)18-10)15-7-13(19)4-2-1-3-5-13/h6,8,19H,1-5,7H2,(H2,15,16,17,18)
SMILES: c1c2c([nH]c1I)ncnc2NCC3(CCCCC3)O
c1c2c([nH]c1I)ncnc2NCC3(CCCCC3)O
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%