2026-05-02_00000151
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ligand
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9R1N
X-ray crystal structure of a de novo designed 1,6-diphenylhexatriene binder, sc-apCC-4-DPH-2;
X-ray diffraction 2.40Å
Protein #1
151 residues (87% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMQLEEIAQQIEEIAKQVKKIAWQLKKIAQGEPSAQGQLEEIAQQIEEIAKQVKKIAWQLKKIAQGPDSVQLEEIAQQGEEAAKQAKKIAQQLKKIAQGGTSGGQLEEIAQQGEEAAKQAKKIAQQLKKIAQ
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMQLEEIAQQIEEIAKQVKKIAWQLKKIAQGEPSAQGQLEEIAQQIEEIAKQVKKIAWQLKKIAQGPDSVQLEEIAQQGEEAAKQAKKIAQQLKKIAQGGTSGGQLEEIAQQGEEAAKQAKKIAQQLKKIAQ
Non polymer #2
1PE
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
InChI=1S/C10H22O6/c11-1-3-13-5-7-15-9-10-16-8-6-14-4-2-12/h11-12H,1-10H2
SMILES: C(COCCOCCOCCOCCO)O
C(COCCOCCOCCOCCO)O
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
homo-dimer
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Model
Reference
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