Study : bsu16330 (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: IMD_B_12(5DGC) / Model_39(5DGC/B) = [3.5] Download392.9014.50MAHRILIVDDAAFMRMMIKDILVKNGFEVVAEAENGAQAVEKYKEHSPDLVTMDITMPEMDGITALKEIKQIDAQARIIMCSAMGQQSMVIDAIQAGAKDFIVKPFQADRVLEAINKTLN
Complex: IMD_A_5(5D2C) / Model_42(5D2C/A) = [3.5] Download480.1714.50MAHRILIVDDAAFMRMMIKDILVKNGFEVVAEAENGAQAVEKYKEHSPDLVTMDITMPEMDGITALKEIKQIDAQARIIMCSAMGQQSMVIDAIQAGAKDFIVKPFQADRVLEAINKTLN
Complex: IMD_A_5(5DKF) / Model_38(5DKF/A) = [3.6] Download332.6014.50MAHRILIVDDAAFMRMMIKDILVKNGFEVVAEAENGAQAVEKYKEHSPDLVTMDITMPEMDGITALKEIKQIDAQARIIMCSAMGQQSMVIDAIQAGAKDFIVKPFQADRVLEAINKTLN
Complex: IMD_B_13(5DKF) / Model_37(5DKF/B) = [3.6] Download296.887.83MAHRILIVDDAAFMRMMIKDILVKNGFEVVAEAENGAQAVEKYKEHSPDLVTMDITMPEMDGITALKEIKQIDAQARIIMCSAMGQQSMVIDAIQAGAKDFIVKPFQADRVLEAINKTLN
Complex: IMD_B_13(5D2C) / Model_41(5D2C/B) = [3.7] Download469.1114.50MAHRILIVDDAAFMRMMIKDILVKNGFEVVAEAENGAQAVEKYKEHSPDLVTMDITMPEMDGITALKEIKQIDAQARIIMCSAMGQQSMVIDAIQAGAKDFIVKPFQADRVLEAINKTLN
Consensus
[pKd Mean = 3.58]
-394
(s=72)
13
(s=2)
MAHRILIVDDAAFMRMMIKDILVKNGFEVVAEAENGAQAVEKYKEHSPDLVTMDITMPEMDGITALKEIKQIDAQARIIMCSAMGQQSMVIDAIQAGAKDFIVKPFQADRVLEAINKTLN