2026-10-31_00000393
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ligand
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15OS
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005669;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D4B
InChI=1S/C11H17ClN4O/c1-11(2,17)7-4-3-5-16(7)10-8(12)9(13)14-6-15-10/h6-7,17H,3-5H2,1-2H3,(H2,13,14,15)/t7-/m0/s1
InChI=1S/C11H17ClN4O/c1-11(2,17)7-4-3-5-16(7)10-8(12)9(13)14-6-15-10/h6-7,17H,3-5H2,1-2H3,(H2,13,14,15)/t7-/m0/s1
SMILES: CC(C)([C@@H]1CCCN1c2c(c(ncn2)N)Cl)O
CC(C)([C@@H]1CCCN1c2c(c(ncn2)N)Cl)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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