2026-02-07_00000159
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ligand
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9QNX
APH(2'')-IVa with a fragment;
X-ray diffraction 2.11Å
Protein #1
321 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK
Non polymer #2
A1I79
InChI=1S/C11H13ClN4O2/c12-8-4-14-10(16-6-1-2-6)3-7(8)11(18)15-5-9(13)17/h3-4,6H,1-2,5H2,(H2,13,17)(H,14,16)(H,15,18)
InChI=1S/C11H13ClN4O2/c12-8-4-14-10(16-6-1-2-6)3-7(8)11(18)15-5-9(13)17/h3-4,6H,1-2,5H2,(H2,13,17)(H,14,16)(H,15,18)
SMILES: c1c(c(cnc1NC2CC2)Cl)C(=O)NCC(=O)N
c1c(c(cnc1NC2CC2)Cl)C(=O)NCC(=O)N
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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