2026-10-31_00000333
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ligand
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15MK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005336;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D32
InChI=1S/C14H17N3O4/c15-14(21)16-11-5-3-9(4-6-11)12(18)17-7-1-2-10(8-17)13(19)20/h3-6,10H,1-2,7-8H2,(H,19,20)(H3,15,16,21)/t10-/m1/s1
InChI=1S/C14H17N3O4/c15-14(21)16-11-5-3-9(4-6-11)12(18)17-7-1-2-10(8-17)13(19)20/h3-6,10H,1-2,7-8H2,(H,19,20)(H3,15,16,21)/t10-/m1/s1
SMILES: c1cc(ccc1C(=O)N2CCC[C@H](C2)C(=O)O)NC(=O)N
c1cc(ccc1C(=O)N2CCC[C@H](C2)C(=O)O)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%