2026-10-31_00000376
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ligand
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15OB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005474;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQZ
InChI=1S/C14H21N3O3/c1-9(2)12(7-8-18)17-13(19)10-3-5-11(6-4-10)16-14(15)20/h3-6,9,12,18H,7-8H2,1-2H3,(H,17,19)(H3,15,16,20)/t12-/m0/s1
InChI=1S/C14H21N3O3/c1-9(2)12(7-8-18)17-13(19)10-3-5-11(6-4-10)16-14(15)20/h3-6,9,12,18H,7-8H2,1-2H3,(H,17,19)(H3,15,16,20)/t12-/m0/s1
SMILES: CC(C)[C@H](CCO)NC(=O)c1ccc(cc1)NC(=O)N
CC(C)[C@H](CCO)NC(=O)c1ccc(cc1)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
100%