2026-10-31_00000052
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ligand
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15BO
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000711;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DU5
InChI=1S/C12H15N5O/c1-2-8-6-13-11-10(8)12(15-7-14-11)16-17-5-3-4-9(17)18/h6-7H,2-5H2,1H3,(H2,13,14,15,16)
InChI=1S/C12H15N5O/c1-2-8-6-13-11-10(8)12(15-7-14-11)16-17-5-3-4-9(17)18/h6-7H,2-5H2,1H3,(H2,13,14,15,16)
SMILES: CCc1c[nH]c2c1c(ncn2)NN3CCCC3=O
CCc1c[nH]c2c1c(ncn2)NN3CCCC3=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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