Study : bsu35070 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: 3CX_A_3(3OQJ) / Model_3(3OQJ/A) = [3.4] Download520.6938.20MTGMVTERRSVHFIAEALTENCREIFERRRHVLVGISPFNSRFSEDYIYRLIGWAKAQFKSVSVLLAGHEAANLLEALGTPRGKAERKVRKEVSRNRRFAERALVAHGGDPKAIHTFSDFIDNKAYQLLRQEVEHAFFEQPHFRHACLDMSREAIIGRARGVSLMMEEVSEDMLNLAVEYVIAELPFFIGAPDILEVEETLLAYHRPWKLGEKISNHEFSICMRPNQGYLIVQEMAQMLSEKRITSEG
Complex: NHE_A_4(3OQI) / Model_2(3OQI/A) = [3.5] Download815.2522.00MTGMVTERRSVHFIAEALTENCREIFERRRHVLVGISPFNSRFSEDYIYRLIGWAKAQFKSVSVLLAGHEAANLLEALGTPRGKAERKVRKEVSRNRRFAERALVAHGGDPKAIHTFSDFIDNKAYQLLRQEVEHAFFEQPHFRHACLDMSREAIIGRARGVSLMMEEVSEDMLNLAVEYVIAELPFFIGAPDILEVEETLLAYHRPWKLGEKISNHEFSICMRPNQGYLIVQEMAQMLSEKRITSEG
Complex: NHE_A_4(3OQI) / Model_21(3OQI/A) = [3.5] Download824.6322.00MTGMVTERRSVHFIAEALTENCREIFERRRHVLVGISPFNSRFSEDYIYRLIGWAKAQFKSVSVLLAGHEAANLLEALGTPRGKAERKVRKEVSRNRRFAERALVAHGGDPKAIHTFSDFIDNKAYQLLRQEVEHAFFEQPHFRHACLDMSREAIIGRARGVSLMMEEVSEDMLNLAVEYVIAELPFFIGAPDILEVEETLLAYHRPWKLGEKISNHEFSICMRPNQGYLIVQEMAQMLSEKRITSEG
Complex: 3CX_B_4(3OQJ) / Model_19(3OQJ/B) = [3.7] Download519.6938.20MTGMVTERRSVHFIAEALTENCREIFERRRHVLVGISPFNSRFSEDYIYRLIGWAKAQFKSVSVLLAGHEAANLLEALGTPRGKAERKVRKEVSRNRRFAERALVAHGGDPKAIHTFSDFIDNKAYQLLRQEVEHAFFEQPHFRHACLDMSREAIIGRARGVSLMMEEVSEDMLNLAVEYVIAELPFFIGAPDILEVEETLLAYHRPWKLGEKISNHEFSICMRPNQGYLIVQEMAQMLSEKRITSEG
Consensus
[pKd Mean = 3.53]
-670
(s=149)
30
(s=8)
MTGMVTERRSVHFIAEALTENCREIFERRRHVLVGISPFNSRFSEDYIYRLIGWAKAQFKSVSVLLAGHEAANLLEALGTPRGKAERKVRKEVSRNRRFAERALVAHGGDPKAIHTFSDFIDNKAYQLLRQEVEHAFFEQPHFRHACLDMSREAIIGRARGVSLMMEEVSEDMLNLAVEYVIAELPFFIGAPDILEVEETLLAYHRPWKLGEKISNHEFSICMRPNQGYLIVQEMAQMLSEKRITSEG