2026-10-31_00000250
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ligand
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15JF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004979;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D2D
InChI=1S/C12H16N4O2/c1-7(5-8(2)17)16-12(18)10-9-3-4-13-11(9)15-6-14-10/h3-4,6-8,17H,5H2,1-2H3,(H,16,18)(H,13,14,15)/t7-,8+/m1/s1
InChI=1S/C12H16N4O2/c1-7(5-8(2)17)16-12(18)10-9-3-4-13-11(9)15-6-14-10/h3-4,6-8,17H,5H2,1-2H3,(H,16,18)(H,13,14,15)/t7-,8+/m1/s1
SMILES: C[C@H](C[C@H](C)O)NC(=O)c1c2cc[nH]c2ncn1
C[C@H](C[C@H](C)O)NC(=O)c1c2cc[nH]c2ncn1
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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