2026-02-07_00000170
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ligand
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9QOU
APH(2'')-IVa with an inhibitor;
X-ray diffraction 2.55Å
Protein #1
321 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK
Non polymer #2
A1I8O
InChI=1S/C16H12ClN5/c17-13-8-19-16-12(6-7-18-16)15(13)14-10-22(21-20-14)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19)
InChI=1S/C16H12ClN5/c17-13-8-19-16-12(6-7-18-16)15(13)14-10-22(21-20-14)9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,18,19)
SMILES: c1ccc(cc1)Cn2cc(nn2)c3c4cc[nH]c4ncc3Cl
c1ccc(cc1)Cn2cc(nn2)c3c4cc[nH]c4ncc3Cl
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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