2025-09-13_00000022
|
ligand
|
7IJI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990523172;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CKF
InChI=1S/C17H16N4O3/c1-10-19-15(12-7-8-18-16(12)20-10)17(24)21-13(9-14(22)23)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t13-/m0/s1
InChI=1S/C17H16N4O3/c1-10-19-15(12-7-8-18-16(12)20-10)17(24)21-13(9-14(22)23)11-5-3-2-4-6-11/h2-8,13H,9H2,1H3,(H,21,24)(H,22,23)(H,18,19,20)/t13-/m0/s1
SMILES: Cc1nc(c2cc[nH]c2n1)C(=O)N[C@@H](CC(=O)O)c3ccccc3
Cc1nc(c2cc[nH]c2n1)C(=O)N[C@@H](CC(=O)O)c3ccccc3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%