2026-10-31_00000288
|
ligand
|
15KR
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005201;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D3I
InChI=1S/C20H20N4O2/c25-19(17-15-7-8-21-18(15)23-12-22-17)24-9-3-6-16(24)20(26)10-13-4-1-2-5-14(13)11-20/h1-2,4-5,7-8,12,16,26H,3,6,9-11H2,(H,21,22,23)/t16-/m1/s1
InChI=1S/C20H20N4O2/c25-19(17-15-7-8-21-18(15)23-12-22-17)24-9-3-6-16(24)20(26)10-13-4-1-2-5-14(13)11-20/h1-2,4-5,7-8,12,16,26H,3,6,9-11H2,(H,21,22,23)/t16-/m1/s1
SMILES: c1ccc2c(c1)CC(C2)([C@H]3CCCN3C(=O)c4c5cc[nH]c5ncn4)O
c1ccc2c(c1)CC(C2)([C@H]3CCCN3C(=O)c4c5cc[nH]c5ncn4)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%