2026-10-31_00000019
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ligand
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15AH
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000549;
X-ray diffraction 1.02Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1PR1
InChI=1S/C17H13ClFN3O3/c18-11-5-4-10(8-12(11)19)13(9-16(23)24)21-17(25)14-2-1-3-15-20-6-7-22(14)15/h1-8,13H,9H2,(H,21,25)(H,23,24)/t13-/m0/s1
InChI=1S/C17H13ClFN3O3/c18-11-5-4-10(8-12(11)19)13(9-16(23)24)21-17(25)14-2-1-3-15-20-6-7-22(14)15/h1-8,13H,9H2,(H,21,25)(H,23,24)/t13-/m0/s1
SMILES: c1cc(n2ccnc2c1)C(=O)N[C@@H](CC(=O)O)c3ccc(c(c3)F)Cl
c1cc(n2ccnc2c1)C(=O)N[C@@H](CC(=O)O)c3ccc(c(c3)F)Cl
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%