2026-10-31_00000132
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ligand
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15EQ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0006003;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYQ
InChI=1S/C11H13N5O/c17-9-3-1-2-6-16(9)15-11-8-4-5-12-10(8)13-7-14-11/h4-5,7H,1-3,6H2,(H2,12,13,14,15)
InChI=1S/C11H13N5O/c17-9-3-1-2-6-16(9)15-11-8-4-5-12-10(8)13-7-14-11/h4-5,7H,1-3,6H2,(H2,12,13,14,15)
SMILES: c1c[nH]c2c1c(ncn2)NN3CCCCC3=O
c1c[nH]c2c1c(ncn2)NN3CCCCC3=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
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