2025-10-11_00000057
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medium
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9HVX
Toxoplasma gondii GSK3b bound to LY2090314;
X-ray diffraction 2.10Å
Protein #1
350 residues (92% resolved)
Raw Sequence ...
MGSTYDIGRVLGNGSFGVVTEARCVDTGEVVAIKKVLQDPRYKNRELDIMKELKHPNVVKLIDYFYTEMGERDSNDHNRFLNVVMEHIPETVYRVMKSFLRANQQVPFILIKLYTYQMCRALGYLHALGICHRDIKPQNLLVDSRTHVLKLCDFGSAKRLVPGEQSVS(PTR)ICSRFYRAPELMLGASEYTTAIDVWSIGCVLGELLLGRPLFAGETSVDQLVKIIQILGTPSRRQMSTMNPNYTEFRFPDVKPREWKSIFASHIASTETNDPSWDQALDLLTKFLRYEPGERLLPLEALAHDFFDELRLPSTRLPSGGPLPELFTFSQLELQNMSPAAQVKCIPKGHHHHHH
Canonical Sequence ...
MGSTYDIGRVLGNGSFGVVTEARCVDTGEVVAIKKVLQDPRYKNRELDIMKELKHPNVVKLIDYFYTEMGERDSNDHNRFLNVVMEHIPETVYRVMKSFLRANQQVPFILIKLYTYQMCRALGYLHALGICHRDIKPQNLLVDSRTHVLKLCDFGSAKRLVPGEQSVSYICSRFYRAPELMLGASEYTTAIDVWSIGCVLGELLLGRPLFAGETSVDQLVKIIQILGTPSRRQMSTMNPNYTEFRFPDVKPREWKSIFASHIASTETNDPSWDQALDLLTKFLRYEPGERLLPLEALAHDFFDELRLPSTRLPSGGPLPELFTFSQLELQNMSPAAQVKCIPKGHHHHHH
Non polymer #2
A1IYH
InChI=1S/C28H23FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,31,36,37)
InChI=1S/C28H23FN6O3/c29-18-12-17-15-34(28(38)32-7-3-1-4-8-32)11-10-33-16-20(19(13-18)25(17)33)23-24(27(37)31-26(23)36)21-14-30-22-6-2-5-9-35(21)22/h2,5-6,9-14,16H,1,3-4,7-8,15H2,(H,31,36,37)
SMILES: c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(C=C5)C(=O)N7CCCCC7)F
c1ccn2c(c1)ncc2C3=C(C(=O)NC3=O)c4cn5c6c4cc(cc6CN(C=C5)C(=O)N7CCCCC7)F
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Biounit #1
monomer
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Model
Reference
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