Table 3. DFG motif Phe158 Phi, Psi (Φ, ψ) angle measurements.
Measurements were conducted in PyMOL (80) retrieving available compound C (29) and SBI-0206965–bound (33) AMPKα2 (T172D) KD structures.
| Structures | Ala156 (Φ, ψ) | Asp157 (Φ, ψ) | Phe158 (Φ, ψ) | Gly159 (Φ, ψ) | Leu160 (Φ, ψ) |
|---|---|---|---|---|---|
| α2KD–BAY-3827 | −77.8°, 133.2° | −64.3°, 162.0° | −90.6°, 42.6° | −91.5°, 174.0° | −69.5°, −13.6° |
| AMPKα2 (T172D)–KD compound C (PDB: 3AQV) | −77.6°, 137.5° | −58.4°, 143.4° | −127.8°, 21.4° | −78.7°, −145.7° | −61.1°, −34.9° |
| AMPKα2 (T172D)–KD-SBI-0206965 (PDB: 6BX6) | −83.3°, 141.7° | −56.9°, 150.6° | −90.9°, 68.7° | −125.6°, 179.3° | −68.2°, −25.5° |