Study : bsu35990 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: GOL_B_8(4QOD) / Model_38(4QOD/B) = [3.1] Download967.8844.00MKILVLAVHPHMETSVVNKAWAEELSKHDNITVRDLYKEYPDEAIDVAKEQQLCEEYDRIVFQFPLYWYSSPPLLKKWQDLVLTYGWAFGSEGNALHGKELMLAVSTGSEAEKYQAGGANHYSISELLKPFQATSNLIGMKYLPPYVFYGVNYAAAEDISHSAKRLAEYIQQPFV
Complex: K17_A_5(4U7G) / Model_71(4U7G/A) = [3.2] Download869.6137.55MKILVLAVHPHMETSVVNKAWAEELSKHDNITVRDLYKEYPDEAIDVAKEQQLCEEYDRIVFQFPLYWYSSPPLLKKWQDLVLTYGWAFGSEGNALHGKELMLAVSTGSEAEKYQAGGANHYSISELLKPFQATSNLIGMKYLPPYVFYGVNYAAAEDISHSAKRLAEYIQQPFV
Complex: YTR_B_8(3NHL) / Model_97(3NHL/A) = [3.3] Download739.4137.55MKILVLAVHPHMETSVVNKAWAEELSKHDNITVRDLYKEYPDEAIDVAKEQQLCEEYDRIVFQFPLYWYSSPPLLKKWQDLVLTYGWAFGSEGNALHGKELMLAVSTGSEAEKYQAGGANHYSISELLKPFQATSNLIGMKYLPPYVFYGVNYAAAEDISHSAKRLAEYIQQPFV
Complex: 79X_B_8(3OX2) / Model_15(3OX2/A) = [3.6] Download1074.5337.83MKILVLAVHPHMETSVVNKAWAEELSKHDNITVRDLYKEYPDEAIDVAKEQQLCEEYDRIVFQFPLYWYSSPPLLKKWQDLVLTYGWAFGSEGNALHGKELMLAVSTGSEAEKYQAGGANHYSISELLKPFQATSNLIGMKYLPPYVFYGVNYAAAEDISHSAKRLAEYIQQPFV
Complex: STL_A_4(4QOH) / Model_33(4QOH/B) = [3.9] Download840.4143.60MKILVLAVHPHMETSVVNKAWAEELSKHDNITVRDLYKEYPDEAIDVAKEQQLCEEYDRIVFQFPLYWYSSPPLLKKWQDLVLTYGWAFGSEGNALHGKELMLAVSTGSEAEKYQAGGANHYSISELLKPFQATSNLIGMKYLPPYVFYGVNYAAAEDISHSAKRLAEYIQQPFV
Consensus
[pKd Mean = 3.42]
-898
(s=114)
40
(s=3)
MKILVLAVHPHMETSVVNKAWAEELSKHDNITVRDLYKEYPDEAIDVAKEQQLCEEYDRIVFQFPLYWYSSPPLLKKWQDLVLTYGWAFGSEGNALHGKELMLAVSTGSEAEKYQAGGANHYSISELLKPFQATSNLIGMKYLPPYVFYGVNYAAAEDISHSAKRLAEYIQQPFV