Study : Wbm0408 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: PGA_B_4(1BTM) / Model_24(1BTM/B) = [3.1] Download242.126.86MSFLIVANWKMNGTRSLFVNFIGKLNDKSNEITSKLVICPPFTSLPGNIELNSNISIGAQNCHYKKSGSYTGEISAEMLKELGCTYVILGHSERTHETNGEIKLKSETAIESGLHPIICVGENLEDRESSKTKEVVEYQCKSRLPIHGEYTVAYEPIWAIGTGHVPSNNAIAEVIEVIQSYTSKKHVIYGGSVSLENIENLSNILNLSGVLIGSASLDFDRFHKIVQQVEKAY
Complex: 3PY_A_4(1O5X) / Model_118(1O5X/A) = [3.2] Download303.42-0.33MSFLIVANWKMNGTRSLFVNFIGKLNDKSNEITSKLVICPPFTSLPGNIELNSNISIGAQNCHYKKSGSYTGEISAEMLKELGCTYVILGHSERTHETNGEIKLKSETAIESGLHPIICVGENLEDRESSKTKEVVEYQCKSRLPIHGEYTVAYEPIWAIGTGHVPSNNAIAEVIEVIQSYTSKKHVIYGGSVSLENIENLSNILNLSGVLIGSASLDFDRFHKIVQQVEKAY
Complex: PGA_D_4(1SW0) / Model_71(1SW0/B) = [3.3] Download201.846.86MSFLIVANWKMNGTRSLFVNFIGKLNDKSNEITSKLVICPPFTSLPGNIELNSNISIGAQNCHYKKSGSYTGEISAEMLKELGCTYVILGHSERTHETNGEIKLKSETAIESGLHPIICVGENLEDRESSKTKEVVEYQCKSRLPIHGEYTVAYEPIWAIGTGHVPSNNAIAEVIEVIQSYTSKKHVIYGGSVSLENIENLSNILNLSGVLIGSASLDFDRFHKIVQQVEKAY
Complex: PGA_D_4(1SU5) / Model_77(1SU5/B) = [3.3] Download266.055.73MSFLIVANWKMNGTRSLFVNFIGKLNDKSNEITSKLVICPPFTSLPGNIELNSNISIGAQNCHYKKSGSYTGEISAEMLKELGCTYVILGHSERTHETNGEIKLKSETAIESGLHPIICVGENLEDRESSKTKEVVEYQCKSRLPIHGEYTVAYEPIWAIGTGHVPSNNAIAEVIEVIQSYTSKKHVIYGGSVSLENIENLSNILNLSGVLIGSASLDFDRFHKIVQQVEKAY
Complex: PGA_C_3(1SW0) / Model_72(1SW0/A) = [3.3] Download256.596.86MSFLIVANWKMNGTRSLFVNFIGKLNDKSNEITSKLVICPPFTSLPGNIELNSNISIGAQNCHYKKSGSYTGEISAEMLKELGCTYVILGHSERTHETNGEIKLKSETAIESGLHPIICVGENLEDRESSKTKEVVEYQCKSRLPIHGEYTVAYEPIWAIGTGHVPSNNAIAEVIEVIQSYTSKKHVIYGGSVSLENIENLSNILNLSGVLIGSASLDFDRFHKIVQQVEKAY
Consensus
[pKd Mean = 3.24]
-254
(s=33)
5
(s=2)
MSFLIVANWKMNGTRSLFVNFIGKLNDKSNEITSKLVICPPFTSLPGNIELNSNISIGAQNCHYKKSGSYTGEISAEMLKELGCTYVILGHSERTHETNGEIKLKSETAIESGLHPIICVGENLEDRESSKTKEVVEYQCKSRLPIHGEYTVAYEPIWAIGTGHVPSNNAIAEVIEVIQSYTSKKHVIYGGSVSLENIENLSNILNLSGVLIGSASLDFDRFHKIVQQVEKAY