Study : SA1494 (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: DPM_A_3(3ECR) / Model_21(3ECR/A) = [7.8] Download1191.5122.42MRKLVVGSRRSKLALTQSQQFINKLKAVEPNLEIEIKEIVTKGDRIVDKQLSKVGGKGLFVKEIQHELFEKNIDMAIHSLKDVPSVIPEGLTLGCIPDRELPFDAYISKTHTPLSQLPEGSIIGTSSLRRGAQILSKYPNLEIKWIRGNIDTRLEKLQTEDYDAIILAAAGLRRMGWSDDIVTSYLDRDTLLPAIGQGALGIECRSDDEELLTLLSKVHNDEVAKCVTAERTFLAEMDGSCQVPIAGYATISDQKEIEFTGLIMTPDGKERFEYTMNGTDPVELGKTVSNKLKEQGAYEIIKRLNEQH
Complex: DPM_A_3(3ECR) / Model_9(3ECR/A) = [7.8] Download1054.6424.84MRKLVVGSRRSKLALTQSQQFINKLKAVEPNLEIEIKEIVTKGDRIVDKQLSKVGGKGLFVKEIQHELFEKNIDMAIHSLKDVPSVIPEGLTLGCIPDRELPFDAYISKTHTPLSQLPEGSIIGTSSLRRGAQILSKYPNLEIKWIRGNIDTRLEKLQTEDYDAIILAAAGLRRMGWSDDIVTSYLDRDTLLPAIGQGALGIECRSDDEELLTLLSKVHNDEVAKCVTAERTFLAEMDGSCQVPIAGYATISDQKEIEFTGLIMTPDGKERFEYTMNGTDPVELGKTVSNKLKEQGAYEIIKRLNEQH
Complex: DPM_B_2(1YPN) / Model_6(1YPN/A) = [7.9] Download889.6620.71MRKLVVGSRRSKLALTQSQQFINKLKAVEPNLEIEIKEIVTKGDRIVDKQLSKVGGKGLFVKEIQHELFEKNIDMAIHSLKDVPSVIPEGLTLGCIPDRELPFDAYISKTHTPLSQLPEGSIIGTSSLRRGAQILSKYPNLEIKWIRGNIDTRLEKLQTEDYDAIILAAAGLRRMGWSDDIVTSYLDRDTLLPAIGQGALGIECRSDDEELLTLLSKVHNDEVAKCVTAERTFLAEMDGSCQVPIAGYATISDQKEIEFTGLIMTPDGKERFEYTMNGTDPVELGKTVSNKLKEQGAYEIIKRLNEQH
Complex: DPM_A_2(1AH5) / Model_7(1AH5/A) = [8.1] Download1006.2122.15MRKLVVGSRRSKLALTQSQQFINKLKAVEPNLEIEIKEIVTKGDRIVDKQLSKVGGKGLFVKEIQHELFEKNIDMAIHSLKDVPSVIPEGLTLGCIPDRELPFDAYISKTHTPLSQLPEGSIIGTSSLRRGAQILSKYPNLEIKWIRGNIDTRLEKLQTEDYDAIILAAAGLRRMGWSDDIVTSYLDRDTLLPAIGQGALGIECRSDDEELLTLLSKVHNDEVAKCVTAERTFLAEMDGSCQVPIAGYATISDQKEIEFTGLIMTPDGKERFEYTMNGTDPVELGKTVSNKLKEQGAYEIIKRLNEQH
Complex: DPM_B_4(3ECR) / Model_14(3ECR/B) = [8.4] Download1003.9227.50MRKLVVGSRRSKLALTQSQQFINKLKAVEPNLEIEIKEIVTKGDRIVDKQLSKVGGKGLFVKEIQHELFEKNIDMAIHSLKDVPSVIPEGLTLGCIPDRELPFDAYISKTHTPLSQLPEGSIIGTSSLRRGAQILSKYPNLEIKWIRGNIDTRLEKLQTEDYDAIILAAAGLRRMGWSDDIVTSYLDRDTLLPAIGQGALGIECRSDDEELLTLLSKVHNDEVAKCVTAERTFLAEMDGSCQVPIAGYATISDQKEIEFTGLIMTPDGKERFEYTMNGTDPVELGKTVSNKLKEQGAYEIIKRLNEQH
Consensus
[pKd Mean = 8.00]
-1029
(s=97)
23
(s=2)
MRKLVVGSRRSKLALTQSQQFINKLKAVEPNLEIEIKEIVTKGDRIVDKQLSKVGGKGLFVKEIQHELFEKNIDMAIHSLKDVPSVIPEGLTLGCIPDRELPFDAYISKTHTPLSQLPEGSIIGTSSLRRGAQILSKYPNLEIKWIRGNIDTRLEKLQTEDYDAIILAAAGLRRMGWSDDIVTSYLDRDTLLPAIGQGALGIECRSDDEELLTLLSKVHNDEVAKCVTAERTFLAEMDGSCQVPIAGYATISDQKEIEFTGLIMTPDGKERFEYTMNGTDPVELGKTVSNKLKEQGAYEIIKRLNEQH