2026-10-31_00000439
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ligand
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15QM
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005828;
X-ray diffraction 0.95Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQC
InChI=1S/C16H18N4O/c1-16(10-21,12-5-3-2-4-6-12)9-18-15-13-7-8-17-14(13)19-11-20-15/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19,20)/t16-/m0/s1
InChI=1S/C16H18N4O/c1-16(10-21,12-5-3-2-4-6-12)9-18-15-13-7-8-17-14(13)19-11-20-15/h2-8,11,21H,9-10H2,1H3,(H2,17,18,19,20)/t16-/m0/s1
SMILES: C[C@](CNc1c2cc[nH]c2ncn1)(CO)c3ccccc3
C[C@](CNc1c2cc[nH]c2ncn1)(CO)c3ccccc3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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