Study : bsu33620 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: PMS_A_3(3RLI) / Model_6(3RLI/A) = [3.2] Download489.0930.24MKVVTPKPFTFKGGDKAVLLLHGFTGNTADVRMLGRYLNERGYTCHAPQYEGHGVPPEELVHTGPEDWWKNVMDGYEYLKSEGYESIAACGLSLGGVFSLKLGYTVPIKGIVPMCAPMHIKSEEVMYQGVLSYARNYKKFEGKSPEQIEEEMKEFEKTPMNTLKALQDLIADVRNNVDMIYSPTFVVQARHDHMINTESANIIYNEVETDDKQLKWYEESGHVITLDKERDLVHQDVYEFLEKLDW
Complex: 4PA_A_4(1TQH) / Model_46(1TQH/A) = [3.3] Download390.4436.20MKVVTPKPFTFKGGDKAVLLLHGFTGNTADVRMLGRYLNERGYTCHAPQYEGHGVPPEELVHTGPEDWWKNVMDGYEYLKSEGYESIAACGLSLGGVFSLKLGYTVPIKGIVPMCAPMHIKSEEVMYQGVLSYARNYKKFEGKSPEQIEEEMKEFEKTPMNTLKALQDLIADVRNNVDMIYSPTFVVQARHDHMINTESANIIYNEVETDDKQLKWYEESGHVITLDKERDLVHQDVYEFLEKLDW
Complex: 4PA_A_4(1TQH) / Model_1(1TQH/A) = [3.3] Download394.5036.20MKVVTPKPFTFKGGDKAVLLLHGFTGNTADVRMLGRYLNERGYTCHAPQYEGHGVPPEELVHTGPEDWWKNVMDGYEYLKSEGYESIAACGLSLGGVFSLKLGYTVPIKGIVPMCAPMHIKSEEVMYQGVLSYARNYKKFEGKSPEQIEEEMKEFEKTPMNTLKALQDLIADVRNNVDMIYSPTFVVQARHDHMINTESANIIYNEVETDDKQLKWYEESGHVITLDKERDLVHQDVYEFLEKLDW
Consensus
[pKd Mean = 3.27]
-424
(s=45)
34
(s=2)
MKVVTPKPFTFKGGDKAVLLLHGFTGNTADVRMLGRYLNERGYTCHAPQYEGHGVPPEELVHTGPEDWWKNVMDGYEYLKSEGYESIAACGLSLGGVFSLKLGYTVPIKGIVPMCAPMHIKSEEVMYQGVLSYARNYKKFEGKSPEQIEEEMKEFEKTPMNTLKALQDLIADVRNNVDMIYSPTFVVQARHDHMINTESANIIYNEVETDDKQLKWYEESGHVITLDKERDLVHQDVYEFLEKLDW