2026-10-31_00000247
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ligand
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15JC
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005083;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2A
InChI=1S/C14H14N2O5S/c17-14(18)11-5-3-9-16(11)22(19,20)13-6-2-1-4-10(13)12-7-8-15-21-12/h1-2,4,6-8,11H,3,5,9H2,(H,17,18)/t11-/m0/s1
InChI=1S/C14H14N2O5S/c17-14(18)11-5-3-9-16(11)22(19,20)13-6-2-1-4-10(13)12-7-8-15-21-12/h1-2,4,6-8,11H,3,5,9H2,(H,17,18)/t11-/m0/s1
SMILES: c1ccc(c(c1)c2ccno2)S(=O)(=O)N3CCC[C@H]3C(=O)O
c1ccc(c(c1)c2ccno2)S(=O)(=O)N3CCC[C@H]3C(=O)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%