2026-01-17_00000275
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ligand
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9PNM
Influenza PA-N Endonuclease I38T with compound 3 ((6M)-3-hydroxy-6-[2-(methylsulfanyl)phenyl]-4-oxo-1,4-dihydropyridine-2-carboxylic acid);
X-ray diffraction 2.14Å
Protein #1
192 residues (94% resolved)
Raw Sequence ...
MGSGSAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSDGGSGDPNALLKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSERGE
Canonical Sequence ...
MGSGSAMEDFVRQCFNPMIVELAEKAMKEYGEDPKIETNKFAAICTHLEVCFMYSDGGSGDPNALLKHRFEIIEGRDRIMAWTVVNSICNTTGVEKPKFLPDLYDYKENRFIEIGVTRREVHIYYLEKANKIKSEKTHIHIFSFTGEEMATKADYTLDEESRARIKTRLFTIRQEMASRSLWDSFRQSERGE
Non polymer #2
A1CI4
InChI=1S/C13H11NO4S/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
InChI=1S/C13H11NO4S/c1-19-10-5-3-2-4-7(10)8-6-9(15)12(16)11(14-8)13(17)18/h2-6,16H,1H3,(H,14,15)(H,17,18)
SMILES: CSc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O
CSc1ccccc1C2=CC(=O)C(=C(N2)C(=O)O)O
Non polymer #3
MN
InChI=1S/Mn/q+2
InChI=1S/Mn/q+2
SMILES: [Mn+2]
[Mn+2]
Biounit #1
monomer
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Model
Reference
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