Study : Lmo0318 (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: ICP_A_5(1G67) / Model_6(1G67/A) = [3.3] Download393.1312.37MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS
Complex: POP_A_7(2TPS) / Model_2(2TPS/A) = [3.6] Download501.102.16MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS
Complex: POP_B_8(2TPS) / Model_21(2TPS/B) = [3.7] Download420.124.32MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS
Complex: IFP_A_5(1G6C) / Model_8(1G6C/A) = [4.1] Download388.268.89MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS
Complex: IFP_B_8(1G6C) / Model_26(1G6C/B) = [4.1] Download481.1412.00MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS
Consensus
[pKd Mean = 3.76]
-436
(s=46)
7
(s=4)
MRAELAVYFIAGTQDIVRGTLPSVLEEALKGGITCFQYREKGAGSLQTASERKEMALECQKLCAKYQVPFIINDDVALALEIGADGIHVGQTDEAIRQVIASCSGKMKIGLSVHSVSEAKEAERLGAVDYIGVGPIFPTISKADAEPVSGTAILEEIRRAGITIPIVGIGGINETNSAEVLTAGADGVSVISAITQSDDCHSVIKQLKNPGSPS