2026-02-07_00000209
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ligand
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9RL1
APH(2'')-IVa with an inhibitor;
X-ray diffraction 2.30Å
Protein #1
321 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMRTYTFDQVEKAIEQLYPDFTINTIEISGEGNDCIAYEINRDFIFKFPKHSRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKGVPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKINEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSSDHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILNHYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRSIKIK
Non polymer #2
A1JG8
InChI=1S/C12H10ClN5O2/c1-20-10(19)6-18-5-9(16-17-18)11-7-2-3-14-12(7)15-4-8(11)13/h2-5H,6H2,1H3,(H,14,15)
InChI=1S/C12H10ClN5O2/c1-20-10(19)6-18-5-9(16-17-18)11-7-2-3-14-12(7)15-4-8(11)13/h2-5H,6H2,1H3,(H,14,15)
SMILES: COC(=O)Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl
COC(=O)Cn1cc(nn1)c2c3cc[nH]c3ncc2Cl
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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