Study : bsu23260 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: 5RP_D_4(1TKU) / Model_30(1TKU/B) = [3.1] Download777.016.16MFHPIEEALDALKKGEVIIVVDDEDRENEGDFVALAEHATPEVINFMATHGRGLICTPLSEEIADRLDLHPMVEHNTDSHHTAFTVSIDHRETKTGISAQERSFTVQALLDSKSVPSDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAEACGSPGAGVICEIMNEDGTMARVPELIEIAKKHQLKMITIKDLIQYRYNLTTLVEREVDITLPTDFGTFKVYGYTNEVDGKEHVAFVMGDVPFGEEPVLVRVHSECLTGDVFGSHRCDCGPQLHAALNQIAAEGRGVLLYLRQEGRGIGLINKLKAYKLQEQGYDTVEANEALGFLPDLRNYGIGAQILRDLGVRNMKLLTNNPRKIAGLEGYGLSISERVPLQMEAKEHNKKYLQTKMNKLGHLLHF
Complex: 5RP_C_3(1TKU) / Model_14(1TKU/A) = [3.1] Download604.430.12MFHPIEEALDALKKGEVIIVVDDEDRENEGDFVALAEHATPEVINFMATHGRGLICTPLSEEIADRLDLHPMVEHNTDSHHTAFTVSIDHRETKTGISAQERSFTVQALLDSKSVPSDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAEACGSPGAGVICEIMNEDGTMARVPELIEIAKKHQLKMITIKDLIQYRYNLTTLVEREVDITLPTDFGTFKVYGYTNEVDGKEHVAFVMGDVPFGEEPVLVRVHSECLTGDVFGSHRCDCGPQLHAALNQIAAEGRGVLLYLRQEGRGIGLINKLKAYKLQEQGYDTVEANEALGFLPDLRNYGIGAQILRDLGVRNMKLLTNNPRKIAGLEGYGLSISERVPLQMEAKEHNKKYLQTKMNKLGHLLHF
Complex: GOL_B_10(3MIO) / Model_29(3MIO/B) = [3.1] Download543.32-37.88MFHPIEEALDALKKGEVIIVVDDEDRENEGDFVALAEHATPEVINFMATHGRGLICTPLSEEIADRLDLHPMVEHNTDSHHTAFTVSIDHRETKTGISAQERSFTVQALLDSKSVPSDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAEACGSPGAGVICEIMNEDGTMARVPELIEIAKKHQLKMITIKDLIQYRYNLTTLVEREVDITLPTDFGTFKVYGYTNEVDGKEHVAFVMGDVPFGEEPVLVRVHSECLTGDVFGSHRCDCGPQLHAALNQIAAEGRGVLLYLRQEGRGIGLINKLKAYKLQEQGYDTVEANEALGFLPDLRNYGIGAQILRDLGVRNMKLLTNNPRKIAGLEGYGLSISERVPLQMEAKEHNKKYLQTKMNKLGHLLHF
Complex: 5SP_A_3(3LQU) / Model_7(3LQU/A) = [3.5] Download562.53-0.67MFHPIEEALDALKKGEVIIVVDDEDRENEGDFVALAEHATPEVINFMATHGRGLICTPLSEEIADRLDLHPMVEHNTDSHHTAFTVSIDHRETKTGISAQERSFTVQALLDSKSVPSDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAEACGSPGAGVICEIMNEDGTMARVPELIEIAKKHQLKMITIKDLIQYRYNLTTLVEREVDITLPTDFGTFKVYGYTNEVDGKEHVAFVMGDVPFGEEPVLVRVHSECLTGDVFGSHRCDCGPQLHAALNQIAAEGRGVLLYLRQEGRGIGLINKLKAYKLQEQGYDTVEANEALGFLPDLRNYGIGAQILRDLGVRNMKLLTNNPRKIAGLEGYGLSISERVPLQMEAKEHNKKYLQTKMNKLGHLLHF
Complex: 5RP_A_2(2RIU) / Model_16(2RIU/A) = [3.6] Download646.820.12MFHPIEEALDALKKGEVIIVVDDEDRENEGDFVALAEHATPEVINFMATHGRGLICTPLSEEIADRLDLHPMVEHNTDSHHTAFTVSIDHRETKTGISAQERSFTVQALLDSKSVPSDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAEACGSPGAGVICEIMNEDGTMARVPELIEIAKKHQLKMITIKDLIQYRYNLTTLVEREVDITLPTDFGTFKVYGYTNEVDGKEHVAFVMGDVPFGEEPVLVRVHSECLTGDVFGSHRCDCGPQLHAALNQIAAEGRGVLLYLRQEGRGIGLINKLKAYKLQEQGYDTVEANEALGFLPDLRNYGIGAQILRDLGVRNMKLLTNNPRKIAGLEGYGLSISERVPLQMEAKEHNKKYLQTKMNKLGHLLHF
Consensus
[pKd Mean = 3.28]
-626
(s=83)
-6
(s=15)
MFHPIEEALDALKKGEVIIVVDDEDRENEGDFVALAEHATPEVINFMATHGRGLICTPLSEEIADRLDLHPMVEHNTDSHHTAFTVSIDHRETKTGISAQERSFTVQALLDSKSVPSDFQRPGHIFPLIAKKGGVLKRAGHTEAAVDLAEACGSPGAGVICEIMNEDGTMARVPELIEIAKKHQLKMITIKDLIQYRYNLTTLVEREVDITLPTDFGTFKVYGYTNEVDGKEHVAFVMGDVPFGEEPVLVRVHSECLTGDVFGSHRCDCGPQLHAALNQIAAEGRGVLLYLRQEGRGIGLINKLKAYKLQEQGYDTVEANEALGFLPDLRNYGIGAQILRDLGVRNMKLLTNNPRKIAGLEGYGLSISERVPLQMEAKEHNKKYLQTKMNKLGHLLHF