2026-10-31_00000374
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ligand
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15NZ
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005469;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D38
InChI=1S/C12H16N4O/c1-8-4-12(5-8,6-17)16-11-9-2-3-13-10(9)14-7-15-11/h2-3,7-8,17H,4-6H2,1H3,(H2,13,14,15,16)/t8-,12-
InChI=1S/C12H16N4O/c1-8-4-12(5-8,6-17)16-11-9-2-3-13-10(9)14-7-15-11/h2-3,7-8,17H,4-6H2,1H3,(H2,13,14,15,16)/t8-,12-
SMILES: CC1CC(C1)(CO)Nc2c3cc[nH]c3ncn2
CC1CC(C1)(CO)Nc2c3cc[nH]c3ncn2
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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