2025-04-12_00000000
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hard
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8K0T
Crystal structure of theophylline DNA aptamer bound to theophylline;
X-ray diffraction 2.00Å
DNA #1
29 bases
Raw Sequence ...
(DG)(DC)(DG)(DG)(DT)(DG)(DG)(DT)(DC)(DT)(DA)(DT)(DT)(DC)(DA)(DT)(DA)(DG)(DG)(DC)(DG)(DT)(DC)(DC)(DG)(DC)(DC)(DG)(DC)
Canonical Sequence ...
GCGGTGGTCTATTCATAGGCGTCCGCCGC
Non polymer #2
IOD
InChI=1S/HI/h1H/p-1
InChI=1S/HI/h1H/p-1
SMILES: [I-]
[I-]
Non polymer #3
K
InChI=1S/K/q+1
InChI=1S/K/q+1
SMILES: [K+]
[K+]
Non polymer #4
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #5
TEP
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
SMILES: CN1c2c([nH]cn2)C(=O)N(C1=O)C
CN1c2c([nH]cn2)C(=O)N(C1=O)C
Biounit #1
monomer
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