2026-10-31_00000138
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ligand
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15EW
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005776;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DVG
InChI=1S/C13H10FN5O/c14-8-1-3-15-9(5-8)6-17-13(20)11-10-2-4-16-12(10)19-7-18-11/h1-5,7H,6H2,(H,17,20)(H,16,18,19)
InChI=1S/C13H10FN5O/c14-8-1-3-15-9(5-8)6-17-13(20)11-10-2-4-16-12(10)19-7-18-11/h1-5,7H,6H2,(H,17,20)(H,16,18,19)
SMILES: c1c[nH]c2c1c(ncn2)C(=O)NCc3cc(ccn3)F
c1c[nH]c2c1c(ncn2)C(=O)NCc3cc(ccn3)F
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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