Study : PA3759 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: G6Q_B_4(2J6H) / Model_28(2J6H/B) = [3.1] Download469.1923.79MTSLMLEEALSAATVASRQLAVLDACLPALGQRLREVDPNLALTVARGSSDHAASYFAYLAMQHAGLPVASLPMSVVTLNRSPLRVAGQAVFAFSQSGQSPDLVDSLRILRERGALGIALVNAEDSPLEAASEFVVPLCAGAERSVAATKSFIATLSASARLLAHWQRDNALLAAGQGLAAGLEQAARLDWSPAIEVLRDCQRLMVIGRGAGYAIAQEAALKFKETSAIQAEAFSSAEVRHGPMALVEERYPLLVFAPRGPEQEGLLALAEDMRQRGAQVLLAAPDDIAERDLPLQRAAHPALDPILAIQSFYVMAAGLAEARGMDPDQPRHLSKVTRTH
Complex: F1P_B_4(2DF8) / Model_31(2DF8/B) = [3.2] Download647.9429.05MTSLMLEEALSAATVASRQLAVLDACLPALGQRLREVDPNLALTVARGSSDHAASYFAYLAMQHAGLPVASLPMSVVTLNRSPLRVAGQAVFAFSQSGQSPDLVDSLRILRERGALGIALVNAEDSPLEAASEFVVPLCAGAERSVAATKSFIATLSASARLLAHWQRDNALLAAGQGLAAGLEQAARLDWSPAIEVLRDCQRLMVIGRGAGYAIAQEAALKFKETSAIQAEAFSSAEVRHGPMALVEERYPLLVFAPRGPEQEGLLALAEDMRQRGAQVLLAAPDDIAERDLPLQRAAHPALDPILAIQSFYVMAAGLAEARGMDPDQPRHLSKVTRTH
Complex: G6Q_A_3(2J6H) / Model_6(2J6H/A) = [3.5] Download781.6620.91MTSLMLEEALSAATVASRQLAVLDACLPALGQRLREVDPNLALTVARGSSDHAASYFAYLAMQHAGLPVASLPMSVVTLNRSPLRVAGQAVFAFSQSGQSPDLVDSLRILRERGALGIALVNAEDSPLEAASEFVVPLCAGAERSVAATKSFIATLSASARLLAHWQRDNALLAAGQGLAAGLEQAARLDWSPAIEVLRDCQRLMVIGRGAGYAIAQEAALKFKETSAIQAEAFSSAEVRHGPMALVEERYPLLVFAPRGPEQEGLLALAEDMRQRGAQVLLAAPDDIAERDLPLQRAAHPALDPILAIQSFYVMAAGLAEARGMDPDQPRHLSKVTRTH
Complex: F1P_A_3(2DF8) / Model_32(2DF8/A) = [3.6] Download597.8929.52MTSLMLEEALSAATVASRQLAVLDACLPALGQRLREVDPNLALTVARGSSDHAASYFAYLAMQHAGLPVASLPMSVVTLNRSPLRVAGQAVFAFSQSGQSPDLVDSLRILRERGALGIALVNAEDSPLEAASEFVVPLCAGAERSVAATKSFIATLSASARLLAHWQRDNALLAAGQGLAAGLEQAARLDWSPAIEVLRDCQRLMVIGRGAGYAIAQEAALKFKETSAIQAEAFSSAEVRHGPMALVEERYPLLVFAPRGPEQEGLLALAEDMRQRGAQVLLAAPDDIAERDLPLQRAAHPALDPILAIQSFYVMAAGLAEARGMDPDQPRHLSKVTRTH
Complex: GLP_A_2(1MOQ) / Model_3(1MOQ/A) = [4.3] Download892.9420.95MTSLMLEEALSAATVASRQLAVLDACLPALGQRLREVDPNLALTVARGSSDHAASYFAYLAMQHAGLPVASLPMSVVTLNRSPLRVAGQAVFAFSQSGQSPDLVDSLRILRERGALGIALVNAEDSPLEAASEFVVPLCAGAERSVAATKSFIATLSASARLLAHWQRDNALLAAGQGLAAGLEQAARLDWSPAIEVLRDCQRLMVIGRGAGYAIAQEAALKFKETSAIQAEAFSSAEVRHGPMALVEERYPLLVFAPRGPEQEGLLALAEDMRQRGAQVLLAAPDDIAERDLPLQRAAHPALDPILAIQSFYVMAAGLAEARGMDPDQPRHLSKVTRTH
Consensus
[pKd Mean = 3.54]
-677
(s=146)
24
(s=3)
MTSLMLEEALSAATVASRQLAVLDACLPALGQRLREVDPNLALTVARGSSDHAASYFAYLAMQHAGLPVASLPMSVVTLNRSPLRVAGQAVFAFSQSGQSPDLVDSLRILRERGALGIALVNAEDSPLEAASEFVVPLCAGAERSVAATKSFIATLSASARLLAHWQRDNALLAAGQGLAAGLEQAARLDWSPAIEVLRDCQRLMVIGRGAGYAIAQEAALKFKETSAIQAEAFSSAEVRHGPMALVEERYPLLVFAPRGPEQEGLLALAEDMRQRGAQVLLAAPDDIAERDLPLQRAAHPALDPILAIQSFYVMAAGLAEARGMDPDQPRHLSKVTRTH