2026-10-31_00000353
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ligand
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15NE
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0005406;
X-ray diffraction 0.99Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DYK
InChI=1S/C16H12F2N4O3/c17-8-1-2-9(11(18)3-8)12(4-14(23)24)22-16(25)10-5-19-6-13-15(10)21-7-20-13/h1-3,5-7,12H,4H2,(H,20,21)(H,22,25)(H,23,24)/t12-/m0/s1
InChI=1S/C16H12F2N4O3/c17-8-1-2-9(11(18)3-8)12(4-14(23)24)22-16(25)10-5-19-6-13-15(10)21-7-20-13/h1-3,5-7,12H,4H2,(H,20,21)(H,22,25)(H,23,24)/t12-/m0/s1
SMILES: c1cc(c(cc1F)F)[C@H](CC(=O)O)NC(=O)c2cncc3c2[nH]cn3
c1cc(c(cc1F)F)[C@H](CC(=O)O)NC(=O)c2cncc3c2[nH]cn3
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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