2025-10-18_00000008
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ligand
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7IBG
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 in complex with fragment X5449 (well G01) from the KIT library;
X-ray diffraction 1.88Å
Protein #1
116 residues (97% resolved)
Raw Sequence ...
EKTHVQLSLPVLQVRDVLVRGFGDSVEEVLSEARQHLKDGTCGLVEVEKGVLPQLEQPYVFIKRSDARTAPHGHVMVELVAELEGIQYGRSGETLGVLVPHVGEIPVAYRKVLLRK
Canonical Sequence ...
EKTHVQLSLPVLQVRDVLVRGFGDSVEEVLSEARQHLKDGTCGLVEVEKGVLPQLEQPYVFIKRSDARTAPHGHVMVELVAELEGIQYGRSGETLGVLVPHVGEIPVAYRKVLLRK
Non polymer #2
A1CS3
InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3/t5-/m0/s1
InChI=1S/C7H10O3/c1-10-7(9)5-3-2-4-6(5)8/h5H,2-4H2,1H3/t5-/m0/s1
SMILES: COC(=O)[C@H]1CCCC1=O
COC(=O)[C@H]1CCCC1=O
Biounit #1
monomer
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Model
Reference
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