2026-10-03_00000251
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ligand
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9WZW
Crystal structure of CTB10-PEC5.0-1n complex;
X-ray diffraction 1.75Å
Protein #1
141 residues (91% resolved)
Raw Sequence ...
MGSIGEPNRLLC(PBF)SIYVTKKPDQSEEDHHNHVSKVNAPMMIPFLKKYGIVRYTVKHNDAYSKPKQAALMAGQPEEVVLAYDTVFEMIVKDIESIQTMQKDEEFLRTVIPDHFNMGDKTRSKGSLTWIEEFTFALEHHHHHH
Canonical Sequence ...
MGSIGEPNRLLCFSIYVTKKPDQSEEDHHNHVSKVNAPMMIPFLKKYGIVRYTVKHNDAYSKPKQAALMAGQPEEVVLAYDTVFEMIVKDIESIQTMQKDEEFLRTVIPDHFNMGDKTRSKGSLTWIEEFTFALEHHHHHH
Non polymer #2
A1EYS
InChI=1S/C16H17F3O2/c1-15(2,3)9-8-12(14(20)21)10-11-4-6-13(7-5-11)16(17,18)19/h4-7,9H,10H2,1-3H3,(H,20,21)/t8-/m0/s1
InChI=1S/C16H17F3O2/c1-15(2,3)9-8-12(14(20)21)10-11-4-6-13(7-5-11)16(17,18)19/h4-7,9H,10H2,1-3H3,(H,20,21)/t8-/m0/s1
SMILES: CC(C)(C)C=C=C(Cc1ccc(cc1)C(F)(F)F)C(=O)O
CC(C)(C)C=C=C(Cc1ccc(cc1)C(F)(F)F)C(=O)O
Biounit #1
homo-dimer
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Biounit #2
homo-dimer
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Biounit #3
homo-dimer
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Biounit #4
homo-dimer
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Model
Reference
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