2025-07-26_00000166
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ligand
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9IWU
CTB10-PE3.0-(R)-1g complex;
X-ray diffraction 2.20Å
Protein #1
141 residues (94% resolved)
Raw Sequence ...
MGSIGEPNRLLCWSIYVTKKPDQSEEDHHNHVSKVNAPM(PBF)IPFLKKYGIVRYTVKHNDAYSKPKQAALMAGQPEENVLAYDTVFEIIVKDIESIQTMQKDEEFLRTTIPDHFNFADMTRSKGSLTWIEEFTFALEHHHHHH
Canonical Sequence ...
MGSIGEPNRLLCWSIYVTKKPDQSEEDHHNHVSKVNAPMFIPFLKKYGIVRYTVKHNDAYSKPKQAALMAGQPEENVLAYDTVFEIIVKDIESIQTMQKDEEFLRTTIPDHFNFADMTRSKGSLTWIEEFTFALEHHHHHH
Non polymer #2
A1EAB
InChI=1S/C16H18N2O/c1-16(2,3)8-7-14(15(18)19)10-12-5-4-6-13(9-12)11-17/h4-6,8-9H,10H2,1-3H3,(H2,18,19)/t7-/m0/s1
InChI=1S/C16H18N2O/c1-16(2,3)8-7-14(15(18)19)10-12-5-4-6-13(9-12)11-17/h4-6,8-9H,10H2,1-3H3,(H2,18,19)/t7-/m0/s1
SMILES: CC(C)(C)C=C=C(Cc1cccc(c1)C#N)C(=O)N
CC(C)(C)C=C=C(Cc1cccc(c1)C#N)C(=O)N
Non polymer #3
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)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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