2026-10-31_00000057
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ligand
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15BT
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000690;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYA
InChI=1S/C10H10ClN5O/c11-7-4-6-9(14-7)12-5-13-10(6)15-16-3-1-2-8(16)17/h4-5H,1-3H2,(H2,12,13,14,15)
InChI=1S/C10H10ClN5O/c11-7-4-6-9(14-7)12-5-13-10(6)15-16-3-1-2-8(16)17/h4-5H,1-3H2,(H2,12,13,14,15)
SMILES: c1c2c([nH]c1Cl)ncnc2NN3CCCC3=O
c1c2c([nH]c1Cl)ncnc2NN3CCCC3=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%