2026-10-31_00000398
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ligand
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15OX
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005687;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXL
InChI=1S/C13H18N4O/c1-9-2-4-13(6-9,7-18)17-12-10-3-5-14-11(10)15-8-16-12/h3,5,8-9,18H,2,4,6-7H2,1H3,(H2,14,15,16,17)/t9-,13+/m1/s1
InChI=1S/C13H18N4O/c1-9-2-4-13(6-9,7-18)17-12-10-3-5-14-11(10)15-8-16-12/h3,5,8-9,18H,2,4,6-7H2,1H3,(H2,14,15,16,17)/t9-,13+/m1/s1
SMILES: C[C@@H]1CC[C@](C1)(CO)Nc2c3cc[nH]c3ncn2
C[C@@H]1CC[C@](C1)(CO)Nc2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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