2026-10-31_00000169
|
ligand
|
15GB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004835;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1D3W
InChI=1S/C17H17N5O2/c1-11(23)19-8-12-3-2-4-13(7-12)9-20-17(24)15-14-5-6-18-16(14)22-10-21-15/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,24)(H,18,21,22)
InChI=1S/C17H17N5O2/c1-11(23)19-8-12-3-2-4-13(7-12)9-20-17(24)15-14-5-6-18-16(14)22-10-21-15/h2-7,10H,8-9H2,1H3,(H,19,23)(H,20,24)(H,18,21,22)
SMILES: CC(=O)NCc1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
CC(=O)NCc1cccc(c1)CNC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%