2026-10-31_00000368
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ligand
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15NT
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005458;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DXH
InChI=1S/C14H19N3O3/c15-13(20)16-11-4-2-10(3-5-11)12(19)17-14(8-9-18)6-1-7-14/h2-5,18H,1,6-9H2,(H,17,19)(H3,15,16,20)
InChI=1S/C14H19N3O3/c15-13(20)16-11-4-2-10(3-5-11)12(19)17-14(8-9-18)6-1-7-14/h2-5,18H,1,6-9H2,(H,17,19)(H3,15,16,20)
SMILES: c1cc(ccc1C(=O)NC2(CCC2)CCO)NC(=O)N
c1cc(ccc1C(=O)NC2(CCC2)CCO)NC(=O)N
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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