Study : jhp_0427 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_A_3(3TIF) / Model_56(3TIF/A) = [4.0] Download670.420.27MIKARFKKRLLGSRGAFDLNIDLEIKEAEVVALLGESGAGKSTILRILAGLEAVSSGYIEANHSVWLDTQKKIFLKPQQRKIGFVFQDYALFPHLNVYQNIAFAHPKDKNKIHEVLRLMRLENLSQQKIPKLSGGQAQRVALARALIAAKNLLLLDEPLNALDNALKNEVQQGLLDFIKRENLSVLLVSHDPNEITKLARTFLFLNNGVIDPNQENRLFSNRLLVKPLFEDENYCHYEVIPQTISLPKDCLNPTFKLDFIQNKKF
Complex: ADP_B_8(3TIF) / Model_55(3TIF/B) = [4.2] Download567.520.27MIKARFKKRLLGSRGAFDLNIDLEIKEAEVVALLGESGAGKSTILRILAGLEAVSSGYIEANHSVWLDTQKKIFLKPQQRKIGFVFQDYALFPHLNVYQNIAFAHPKDKNKIHEVLRLMRLENLSQQKIPKLSGGQAQRVALARALIAAKNLLLLDEPLNALDNALKNEVQQGLLDFIKRENLSVLLVSHDPNEITKLARTFLFLNNGVIDPNQENRLFSNRLLVKPLFEDENYCHYEVIPQTISLPKDCLNPTFKLDFIQNKKF
Complex: ATP_A_5(1L2T) / Model_54(1L2T/A) = [4.3] Download472.050.27MIKARFKKRLLGSRGAFDLNIDLEIKEAEVVALLGESGAGKSTILRILAGLEAVSSGYIEANHSVWLDTQKKIFLKPQQRKIGFVFQDYALFPHLNVYQNIAFAHPKDKNKIHEVLRLMRLENLSQQKIPKLSGGQAQRVALARALIAAKNLLLLDEPLNALDNALKNEVQQGLLDFIKRENLSVLLVSHDPNEITKLARTFLFLNNGVIDPNQENRLFSNRLLVKPLFEDENYCHYEVIPQTISLPKDCLNPTFKLDFIQNKKF
Complex: ATP_B_6(1L2T) / Model_53(1L2T/B) = [4.6] Download675.660.27MIKARFKKRLLGSRGAFDLNIDLEIKEAEVVALLGESGAGKSTILRILAGLEAVSSGYIEANHSVWLDTQKKIFLKPQQRKIGFVFQDYALFPHLNVYQNIAFAHPKDKNKIHEVLRLMRLENLSQQKIPKLSGGQAQRVALARALIAAKNLLLLDEPLNALDNALKNEVQQGLLDFIKRENLSVLLVSHDPNEITKLARTFLFLNNGVIDPNQENRLFSNRLLVKPLFEDENYCHYEVIPQTISLPKDCLNPTFKLDFIQNKKF
Consensus
[pKd Mean = 4.28]
-596
(s=83)
0
(s=0)
MIKARFKKRLLGSRGAFDLNIDLEIKEAEVVALLGESGAGKSTILRILAGLEAVSSGYIEANHSVWLDTQKKIFLKPQQRKIGFVFQDYALFPHLNVYQNIAFAHPKDKNKIHEVLRLMRLENLSQQKIPKLSGGQAQRVALARALIAAKNLLLLDEPLNALDNALKNEVQQGLLDFIKRENLSVLLVSHDPNEITKLARTFLFLNNGVIDPNQENRLFSNRLLVKPLFEDENYCHYEVIPQTISLPKDCLNPTFKLDFIQNKKF