2026-10-31_00000410
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ligand
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15PJ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005531;
X-ray diffraction 0.97Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DTK
InChI=1S/C14H19N3O3/c15-13(19)17-11-5-3-10(4-6-11)12(18)16-9-14(20)7-1-2-8-14/h3-6,20H,1-2,7-9H2,(H,16,18)(H3,15,17,19)
InChI=1S/C14H19N3O3/c15-13(19)17-11-5-3-10(4-6-11)12(18)16-9-14(20)7-1-2-8-14/h3-6,20H,1-2,7-9H2,(H,16,18)(H3,15,17,19)
SMILES: c1cc(ccc1C(=O)NCC2(CCCC2)O)NC(=O)N
c1cc(ccc1C(=O)NCC2(CCCC2)O)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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