2026-10-31_00000454
|
ligand
|
15RB
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004707;
X-ray diffraction 0.94Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PRE
InChI=1S/C16H15N3O/c1-11-2-4-12(5-3-11)16(20)19-10-13-6-8-17-15-14(13)7-9-18-15/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChI=1S/C16H15N3O/c1-11-2-4-12(5-3-11)16(20)19-10-13-6-8-17-15-14(13)7-9-18-15/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
SMILES: Cc1ccc(cc1)C(=O)NCc2ccnc3c2cc[nH]3
Cc1ccc(cc1)C(=O)NCc2ccnc3c2cc[nH]3
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%