2025-06-07_00000102
|
ligand
|
7HF5
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0003758;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BAS
InChI=1S/C11H16N4O/c1-7-4-12-9-8(7)10(15-6-14-9)13-5-11(2,3)16/h4,6,16H,5H2,1-3H3,(H2,12,13,14,15)
InChI=1S/C11H16N4O/c1-7-4-12-9-8(7)10(15-6-14-9)13-5-11(2,3)16/h4,6,16H,5H2,1-3H3,(H2,12,13,14,15)
SMILES: Cc1c[nH]c2c1c(ncn2)NCC(C)(C)O
Cc1c[nH]c2c1c(ncn2)NCC(C)(C)O
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
Tube
Model
Reference
100%