2025-08-16_00000089
|
ligand
|
7HQ5
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with CACHE3HI_1715_85;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1BKH
InChI=1S/C18H20FN5O/c1-20-18(25)12-4-2-3-5-13(12)23-16-15-11-7-6-10(19)8-14(11)24-17(15)22-9-21-16/h6-9,12-13H,2-5H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,13+/m1/s1
InChI=1S/C18H20FN5O/c1-20-18(25)12-4-2-3-5-13(12)23-16-15-11-7-6-10(19)8-14(11)24-17(15)22-9-21-16/h6-9,12-13H,2-5H2,1H3,(H,20,25)(H2,21,22,23,24)/t12-,13+/m1/s1
SMILES: CNC(=O)[C@@H]1CCCC[C@@H]1Nc2c3c4ccc(cc4[nH]c3ncn2)F
CNC(=O)[C@@H]1CCCC[C@@H]1Nc2c3c4ccc(cc4[nH]c3ncn2)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%