2026-10-31_00000302
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ligand
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15LF
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005242;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PQX
InChI=1S/C12H16N4O/c1-12(2)6-16(9(12)5-17)11-8-3-4-13-10(8)14-7-15-11/h3-4,7,9,17H,5-6H2,1-2H3,(H,13,14,15)/t9-/m1/s1
InChI=1S/C12H16N4O/c1-12(2)6-16(9(12)5-17)11-8-3-4-13-10(8)14-7-15-11/h3-4,7,9,17H,5-6H2,1-2H3,(H,13,14,15)/t9-/m1/s1
SMILES: CC1(CN([C@@H]1CO)c2c3cc[nH]c3ncn2)C
CC1(CN([C@@H]1CO)c2c3cc[nH]c3ncn2)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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