2026-10-31_00000161
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ligand
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15FT
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004817;
X-ray diffraction 1.00Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DVE
InChI=1S/C11H14N4O2/c1-2-7(5-16)15-11(17)9-8-3-4-12-10(8)14-6-13-9/h3-4,6-7,16H,2,5H2,1H3,(H,15,17)(H,12,13,14)/t7-/m1/s1
InChI=1S/C11H14N4O2/c1-2-7(5-16)15-11(17)9-8-3-4-12-10(8)14-6-13-9/h3-4,6-7,16H,2,5H2,1H3,(H,15,17)(H,12,13,14)/t7-/m1/s1
SMILES: CC[C@H](CO)NC(=O)c1c2cc[nH]c2ncn1
CC[C@H](CO)NC(=O)c1c2cc[nH]c2ncn1
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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