2026-10-31_00000150
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ligand
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15FI
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0004794;
X-ray diffraction 0.98Å
Protein #1
169 residues (100% resolved)
Raw Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Canonical Sequence ...
SMVNSFSGYLKLTDNVYIKNADIVEEAKKVKPTVVVNAANVYLKHGGGVAGALNKATNNAMQVESDDYIATNGPLKVGGSCVLSGHNLAKHCLHVVGPNVNKGEDIQLLKSAYENFNQHEVLLAPLLSAGIFGADPIHSLRVCVDTVRTNVYLAVFDKNLYDKLVSSFL
Non polymer #2
A1DX2
InChI=1S/C13H16N4O3S/c1-21(19,20)9-3-2-8(6-9)17-13(18)11-10-4-5-14-12(10)16-7-15-11/h4-5,7-9H,2-3,6H2,1H3,(H,17,18)(H,14,15,16)/t8-,9+/m1/s1
InChI=1S/C13H16N4O3S/c1-21(19,20)9-3-2-8(6-9)17-13(18)11-10-4-5-14-12(10)16-7-15-11/h4-5,7-9H,2-3,6H2,1H3,(H,17,18)(H,14,15,16)/t8-,9+/m1/s1
SMILES: CS(=O)(=O)[C@H]1CC[C@H](C1)NC(=O)c2c3cc[nH]c3ncn2
CS(=O)(=O)[C@H]1CC[C@H](C1)NC(=O)c2c3cc[nH]c3ncn2
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
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Model
Reference
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