2026-10-31_00000438
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ligand
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15QL
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005824;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PPW
InChI=1S/C10H14N4O/c1-10(2,15)5-12-9-7-3-4-11-8(7)13-6-14-9/h3-4,6,15H,5H2,1-2H3,(H2,11,12,13,14)
InChI=1S/C10H14N4O/c1-10(2,15)5-12-9-7-3-4-11-8(7)13-6-14-9/h3-4,6,15H,5H2,1-2H3,(H2,11,12,13,14)
SMILES: CC(C)(CNc1c2cc[nH]c2ncn1)O
CC(C)(CNc1c2cc[nH]c2ncn1)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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