2025-08-23_00000193
|
ligand
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9KEB
Crystal structure of the PIN1 and fragment 24 complex.;
X-ray diffraction 1.65Å
Protein #1
163 residues (89% resolved)
Raw Sequence ...
MADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Canonical Sequence ...
MADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIILRTE
Non polymer #2
A1EE8
InChI=1S/C13H20N2O/c1-14-7-4-8-15(10-9-14)13-6-3-2-5-12(13)11-16/h2-3,5-6,16H,4,7-11H2,1H3
InChI=1S/C13H20N2O/c1-14-7-4-8-15(10-9-14)13-6-3-2-5-12(13)11-16/h2-3,5-6,16H,4,7-11H2,1H3
SMILES: CN1CCCN(CC1)c2ccccc2CO
CN1CCCN(CC1)c2ccccc2CO
Non polymer #3
PE8
InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2
InChI=1S/C16H34O9/c17-1-3-19-5-7-21-9-11-23-13-15-25-16-14-24-12-10-22-8-6-20-4-2-18/h17-18H,1-16H2
SMILES: C(COCCOCCOCCOCCOCCOCCOCCO)O
C(COCCOCCOCCOCCOCCOCCOCCO)O
Biounit #1
monomer
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Model
Reference
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