2026-10-31_00000062
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ligand
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15BY
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000697;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DS1
InChI=1S/C12H15N5O/c1-7-8(2)15-11-10(7)12(14-6-13-11)16-17-5-3-4-9(17)18/h6H,3-5H2,1-2H3,(H2,13,14,15,16)
InChI=1S/C12H15N5O/c1-7-8(2)15-11-10(7)12(14-6-13-11)16-17-5-3-4-9(17)18/h6H,3-5H2,1-2H3,(H2,13,14,15,16)
SMILES: Cc1c([nH]c2c1c(ncn2)NN3CCCC3=O)C
Cc1c([nH]c2c1c(ncn2)NN3CCCC3=O)C
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%