2026-09-12_00000030
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ligand
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14AN
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8756044539;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DBM
InChI=1S/C19H22N4O2/c1-11(2)17(13-4-5-14-15(8-13)25-7-6-24-14)23-19-16-12(3)9-20-18(16)21-10-22-19/h4-5,8-11,17H,6-7H2,1-3H3,(H2,20,21,22,23)/t17-/m0/s1
InChI=1S/C19H22N4O2/c1-11(2)17(13-4-5-14-15(8-13)25-7-6-24-14)23-19-16-12(3)9-20-18(16)21-10-22-19/h4-5,8-11,17H,6-7H2,1-3H3,(H2,20,21,22,23)/t17-/m0/s1
SMILES: Cc1c[nH]c2c1c(ncn2)N[C@H](c3ccc4c(c3)OCCO4)C(C)C
Cc1c[nH]c2c1c(ncn2)N[C@H](c3ccc4c(c3)OCCO4)C(C)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%