2026-01-24_00000003
|
ligand
|
13RK
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004052;
X-ray diffraction 1.03Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CXT
InChI=1S/C17H18N8O/c1-17(2)5-4-14(26)25(17)23-16-10-6-12(22-15(10)19-9-20-16)11-8-21-24(3)13(11)7-18/h6,8-9H,4-5H2,1-3H3,(H2,19,20,22,23)
InChI=1S/C17H18N8O/c1-17(2)5-4-14(26)25(17)23-16-10-6-12(22-15(10)19-9-20-16)11-8-21-24(3)13(11)7-18/h6,8-9H,4-5H2,1-3H3,(H2,19,20,22,23)
SMILES: CC1(CCC(=O)N1Nc2c3cc([nH]c3ncn2)c4cnn(c4C#N)C)C
CC1(CCC(=O)N1Nc2c3cc([nH]c3ncn2)c4cnn(c4C#N)C)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%