2025-09-13_00000025
|
ligand
|
7IJL
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with Z8990523194;
X-ray diffraction 1.01Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CKK
InChI=1S/C16H13ClN4O3/c17-16-20-13(10-6-7-18-14(10)21-16)15(24)19-11(8-12(22)23)9-4-2-1-3-5-9/h1-7,11H,8H2,(H,19,24)(H,22,23)(H,18,20,21)/t11-/m0/s1
InChI=1S/C16H13ClN4O3/c17-16-20-13(10-6-7-18-14(10)21-16)15(24)19-11(8-12(22)23)9-4-2-1-3-5-9/h1-7,11H,8H2,(H,19,24)(H,22,23)(H,18,20,21)/t11-/m0/s1
SMILES: c1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3nc(n2)Cl
c1ccc(cc1)[C@H](CC(=O)O)NC(=O)c2c3cc[nH]c3nc(n2)Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
Tube
Model
Reference
100%