2026-10-31_00000265
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ligand
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15JU
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005144;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2X
InChI=1S/C14H17N3O4/c1-15-14(20)17-11-4-2-9(3-5-11)12(18)16-8-10-6-7-21-13(10)19/h2-5,10H,6-8H2,1H3,(H,16,18)(H2,15,17,20)/t10-/m0/s1
InChI=1S/C14H17N3O4/c1-15-14(20)17-11-4-2-9(3-5-11)12(18)16-8-10-6-7-21-13(10)19/h2-5,10H,6-8H2,1H3,(H,16,18)(H2,15,17,20)/t10-/m0/s1
SMILES: CNC(=O)Nc1ccc(cc1)C(=O)NC[C@@H]2CCOC2=O
CNC(=O)Nc1ccc(cc1)C(=O)NC[C@@H]2CCOC2=O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%