2026-10-31_00000131
|
ligand
|
15EP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005992;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D0N
InChI=1S/C17H15N7O/c25-17(15-12-6-7-18-16(12)21-9-20-15)23-13(8-14-19-10-22-24-14)11-4-2-1-3-5-11/h1-7,9-10,13H,8H2,(H,23,25)(H,18,20,21)(H,19,22,24)/t13-/m1/s1
InChI=1S/C17H15N7O/c25-17(15-12-6-7-18-16(12)21-9-20-15)23-13(8-14-19-10-22-24-14)11-4-2-1-3-5-11/h1-7,9-10,13H,8H2,(H,23,25)(H,18,20,21)(H,19,22,24)/t13-/m1/s1
SMILES: c1ccc(cc1)[C@@H](Cc2nc[nH]n2)NC(=O)c3c4cc[nH]c4ncn3
c1ccc(cc1)[C@@H](Cc2nc[nH]n2)NC(=O)c3c4cc[nH]c4ncn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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