2026-10-31_00000217
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ligand
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15HY
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004975;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2H
InChI=1S/C12H13N7/c1-2-9(11-15-7-17-18-11)19(5-1)12-8-3-4-13-10(8)14-6-16-12/h3-4,6-7,9H,1-2,5H2,(H,13,14,16)(H,15,17,18)/t9-/m0/s1
InChI=1S/C12H13N7/c1-2-9(11-15-7-17-18-11)19(5-1)12-8-3-4-13-10(8)14-6-16-12/h3-4,6-7,9H,1-2,5H2,(H,13,14,16)(H,15,17,18)/t9-/m0/s1
SMILES: c1c[nH]c2c1c(ncn2)N3CCC[C@H]3c4[nH]ncn4
c1c[nH]c2c1c(ncn2)N3CCC[C@H]3c4[nH]ncn4
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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