2026-10-31_00000260
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ligand
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15JP
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005130;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DSR
InChI=1S/C17H17N5O/c23-17(15-13-5-7-19-16(13)22-10-21-15)20-9-11-3-4-14-12(8-11)2-1-6-18-14/h3-5,7-8,10,18H,1-2,6,9H2,(H,20,23)(H,19,21,22)
InChI=1S/C17H17N5O/c23-17(15-13-5-7-19-16(13)22-10-21-15)20-9-11-3-4-14-12(8-11)2-1-6-18-14/h3-5,7-8,10,18H,1-2,6,9H2,(H,20,23)(H,19,21,22)
SMILES: c1cc2c(cc1CNC(=O)c3c4cc[nH]c4ncn3)CCCN2
c1cc2c(cc1CNC(=O)c3c4cc[nH]c4ncn3)CCCN2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%