Study : Wbm0046 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C10_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C10_S1
Complex: F3S_B_9(3F7T) / Model_28(3F7T/B) = [3.3] Download170.0616.12MEIILAEPRGFCAGVKRAVDILAITLKKYRNKRKVYVLHEIVHNKYIVEDFKRQGVIFVNSIRDIKDNRGILIFSAHGVSKNIEDKAKRKGIQVIDATCPLVSKVHKEAKRYEDSGKELILIGHKNHPEVKGIRGRVNNPIVLVQTLQNVRDLKVKNPDNLSYVTQTTLSTDDTREIITALKLRFPNITGPNLKDICYATQNRQNAVKKLTEIVDIVLIIGSKNSSNSNRLLDLCTARGKRAYLIDNYSYMDKSWLQGIEKIGITAGASAPDILVDELINHLKINVNTKVSVMSDGVTENVQFKIPHLV
Complex: F3S_A_3(3F7T) / Model_6(3F7T/A) = [3.4] Download183.8216.12MEIILAEPRGFCAGVKRAVDILAITLKKYRNKRKVYVLHEIVHNKYIVEDFKRQGVIFVNSIRDIKDNRGILIFSAHGVSKNIEDKAKRKGIQVIDATCPLVSKVHKEAKRYEDSGKELILIGHKNHPEVKGIRGRVNNPIVLVQTLQNVRDLKVKNPDNLSYVTQTTLSTDDTREIITALKLRFPNITGPNLKDICYATQNRQNAVKKLTEIVDIVLIIGSKNSSNSNRLLDLCTARGKRAYLIDNYSYMDKSWLQGIEKIGITAGASAPDILVDELINHLKINVNTKVSVMSDGVTENVQFKIPHLV
Complex: F3S_B_5(3KEF) / Model_31(3KEF/B) = [3.5] Download155.3414.35MEIILAEPRGFCAGVKRAVDILAITLKKYRNKRKVYVLHEIVHNKYIVEDFKRQGVIFVNSIRDIKDNRGILIFSAHGVSKNIEDKAKRKGIQVIDATCPLVSKVHKEAKRYEDSGKELILIGHKNHPEVKGIRGRVNNPIVLVQTLQNVRDLKVKNPDNLSYVTQTTLSTDDTREIITALKLRFPNITGPNLKDICYATQNRQNAVKKLTEIVDIVLIIGSKNSSNSNRLLDLCTARGKRAYLIDNYSYMDKSWLQGIEKIGITAGASAPDILVDELINHLKINVNTKVSVMSDGVTENVQFKIPHLV
Complex: F3S_B_6(3KEM) / Model_29(3KEM/B) = [3.5] Download194.0614.35MEIILAEPRGFCAGVKRAVDILAITLKKYRNKRKVYVLHEIVHNKYIVEDFKRQGVIFVNSIRDIKDNRGILIFSAHGVSKNIEDKAKRKGIQVIDATCPLVSKVHKEAKRYEDSGKELILIGHKNHPEVKGIRGRVNNPIVLVQTLQNVRDLKVKNPDNLSYVTQTTLSTDDTREIITALKLRFPNITGPNLKDICYATQNRQNAVKKLTEIVDIVLIIGSKNSSNSNRLLDLCTARGKRAYLIDNYSYMDKSWLQGIEKIGITAGASAPDILVDELINHLKINVNTKVSVMSDGVTENVQFKIPHLV
Complex: F3S_A_3(3KEF) / Model_11(3KEF/A) = [3.5] Download183.5714.35MEIILAEPRGFCAGVKRAVDILAITLKKYRNKRKVYVLHEIVHNKYIVEDFKRQGVIFVNSIRDIKDNRGILIFSAHGVSKNIEDKAKRKGIQVIDATCPLVSKVHKEAKRYEDSGKELILIGHKNHPEVKGIRGRVNNPIVLVQTLQNVRDLKVKNPDNLSYVTQTTLSTDDTREIITALKLRFPNITGPNLKDICYATQNRQNAVKKLTEIVDIVLIIGSKNSSNSNRLLDLCTARGKRAYLIDNYSYMDKSWLQGIEKIGITAGASAPDILVDELINHLKINVNTKVSVMSDGVTENVQFKIPHLV
Consensus
[pKd Mean = 3.44]		-177
(s=13)		15
(s=0)		MEIILAEPRGFCAGVKRAVDILAITLKKYRNKRKVYVLHEIVHNKYIVEDFKRQGVIFVNSIRDIKDNRGILIFSAHGVSKNIEDKAKRKGIQVIDATCPLVSKVHKEAKRYEDSGKELILIGHKNHPEVKGIRGRVNNPIVLVQTLQNVRDLKVKNPDNLSYVTQTTLSTDDTREIITALKLRFPNITGPNLKDICYATQNRQNAVKKLTEIVDIVLIIGSKNSSNSNRLLDLCTARGKRAYLIDNYSYMDKSWLQGIEKIGITAGASAPDILVDELINHLKINVNTKVSVMSDGVTENVQFKIPHLV