Study : Lmo2601 (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: AGS_B_6(3C4J) / Model_60(3C4J/B) = [3.3] Download853.9710.53VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN
Complex: ADP_A_5(2Q0H) / Model_63(2Q0H/A) = [3.3] Download320.726.85VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN
Complex: IPA_A_6(3TIF) / Model_76(3TIF/B) = [3.4] Download528.2444.62VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN
Complex: ATP_J_5(4YMV) / Model_17(4YMV/J) = [3.4] Download665.2210.38VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN
Complex: ATP_A_6(4YMV) / Model_37(4YMV/A) = [3.4] Download1029.0711.29VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN
Consensus
[pKd Mean = 3.36]
-679
(s=246)
16
(s=14)
VAESFVRLEHVFYKYEDTEKYAVKDVSISAQKGEWVALVGHNGSGKSTIAKLLNGLLFPEDGLIKIGHFVLSEKNIWEIRRQVGMVFQNPDNQFVGATVQDDVAFGLENHGVPHDTMVERVESALNEVGMQSYALHEPARLSGGQKQRVAIAGVLALQPDVIILDEATSMLDPRGRAEVMETIRIMREQEDITVISITHDLDEVLFADRVIVMNKGEIHSEGTPKEIFQQADAMREIGLGVPFIIELQEKLVAGGFETGSTVLSEGALLDQLWKLNSNN