2026-10-31_00000334
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ligand
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15ML
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005337;
X-ray diffraction 1.03Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D33
InChI=1S/C11H14N4O/c1-8-6-15(4-5-16-8)11-9-2-3-12-10(9)13-7-14-11/h2-3,7-8H,4-6H2,1H3,(H,12,13,14)/t8-/m0/s1
InChI=1S/C11H14N4O/c1-8-6-15(4-5-16-8)11-9-2-3-12-10(9)13-7-14-11/h2-3,7-8H,4-6H2,1H3,(H,12,13,14)/t8-/m0/s1
SMILES: C[C@H]1CN(CCO1)c2c3cc[nH]c3ncn2
C[C@H]1CN(CCO1)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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