2026-01-24_00000001
|
ligand
|
13RI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004094;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1CXR
InChI=1S/C15H18N4OS/c1-9(2)12(7-20)19-15-10-6-11(13-4-3-5-21-13)18-14(10)16-8-17-15/h3-6,8-9,12,20H,7H2,1-2H3,(H2,16,17,18,19)/t12-/m0/s1
InChI=1S/C15H18N4OS/c1-9(2)12(7-20)19-15-10-6-11(13-4-3-5-21-13)18-14(10)16-8-17-15/h3-6,8-9,12,20H,7H2,1-2H3,(H2,16,17,18,19)/t12-/m0/s1
SMILES: CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cccs3
CC(C)[C@H](CO)Nc1c2cc([nH]c2ncn1)c3cccs3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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