2026-10-31_00000357
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ligand
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15NI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005416;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DWO
InChI=1S/C14H19N3O3/c15-14(20)16-10-7-5-9(6-8-10)13(19)17-11-3-1-2-4-12(11)18/h5-8,11-12,18H,1-4H2,(H,17,19)(H3,15,16,20)/t11-,12-/m1/s1
InChI=1S/C14H19N3O3/c15-14(20)16-10-7-5-9(6-8-10)13(19)17-11-3-1-2-4-12(11)18/h5-8,11-12,18H,1-4H2,(H,17,19)(H3,15,16,20)/t11-,12-/m1/s1
SMILES: c1cc(ccc1C(=O)N[C@@H]2CCCC[C@H]2O)NC(=O)N
c1cc(ccc1C(=O)N[C@@H]2CCCC[C@H]2O)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%