2026-10-31_00000267
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ligand
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15JW
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005149;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DX9
InChI=1S/C11H11N5O3/c17-10(13-3-6-4-14-11(18)19-6)8-7-1-2-12-9(7)16-5-15-8/h1-2,5-6H,3-4H2,(H,13,17)(H,14,18)(H,12,15,16)/t6-/m1/s1
InChI=1S/C11H11N5O3/c17-10(13-3-6-4-14-11(18)19-6)8-7-1-2-12-9(7)16-5-15-8/h1-2,5-6H,3-4H2,(H,13,17)(H,14,18)(H,12,15,16)/t6-/m1/s1
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NC[C@@H]3CNC(=O)O3
c1c[nH]c2c1c(ncn2)C(=O)NC[C@@H]3CNC(=O)O3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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