Study : Lmo0931 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: LPA_A_4(1X2H) / Model_5(1X2H/A) = [3.2] Download522.2721.79MYFIDNNNEKDPRINLAVEEFILTELNLDEPVLLFYINKPSIIIGRNQNTVEEIDTEYVEKNDVIVVRRLSGGGAVYHDEGNLNFSFITEDDGESFHNFAKFTQPIVEALKRLGVNAELKGRNDLLIDGFKVSGNAQFATKGKMFSHGTLMYDLNLDNVAASLKPRKDKIESKGIKSVRSRVANISDFMDQEMTTEEFRDLLLLYIFGVEKVEDVKEYKLTAADWEKIHEISAKRYGNWDWNYGKSPKFDLTRTKRFPVGAVDVRLNVQKGVITDIKIFGDFFGVKNVADIEEKLVNTTYKREVLAEALVDIDVKEYFGNITKDEFLDLLY
Complex: 37R_B_6(4TVY) / Model_19(4TVY/B) = [3.4] Download1680.288.83MYFIDNNNEKDPRINLAVEEFILTELNLDEPVLLFYINKPSIIIGRNQNTVEEIDTEYVEKNDVIVVRRLSGGGAVYHDEGNLNFSFITEDDGESFHNFAKFTQPIVEALKRLGVNAELKGRNDLLIDGFKVSGNAQFATKGKMFSHGTLMYDLNLDNVAASLKPRKDKIESKGIKSVRSRVANISDFMDQEMTTEEFRDLLLLYIFGVEKVEDVKEYKLTAADWEKIHEISAKRYGNWDWNYGKSPKFDLTRTKRFPVGAVDVRLNVQKGVITDIKIFGDFFGVKNVADIEEKLVNTTYKREVLAEALVDIDVKEYFGNITKDEFLDLLY
Complex: LPA_B_6(2C8M) / Model_25(2C8M/B) = [3.5] Download427.012.48MYFIDNNNEKDPRINLAVEEFILTELNLDEPVLLFYINKPSIIIGRNQNTVEEIDTEYVEKNDVIVVRRLSGGGAVYHDEGNLNFSFITEDDGESFHNFAKFTQPIVEALKRLGVNAELKGRNDLLIDGFKVSGNAQFATKGKMFSHGTLMYDLNLDNVAASLKPRKDKIESKGIKSVRSRVANISDFMDQEMTTEEFRDLLLLYIFGVEKVEDVKEYKLTAADWEKIHEISAKRYGNWDWNYGKSPKFDLTRTKRFPVGAVDVRLNVQKGVITDIKIFGDFFGVKNVADIEEKLVNTTYKREVLAEALVDIDVKEYFGNITKDEFLDLLY
Complex: LPA_D_8(2C8M) / Model_23(2C8M/D) = [3.6] Download489.492.48MYFIDNNNEKDPRINLAVEEFILTELNLDEPVLLFYINKPSIIIGRNQNTVEEIDTEYVEKNDVIVVRRLSGGGAVYHDEGNLNFSFITEDDGESFHNFAKFTQPIVEALKRLGVNAELKGRNDLLIDGFKVSGNAQFATKGKMFSHGTLMYDLNLDNVAASLKPRKDKIESKGIKSVRSRVANISDFMDQEMTTEEFRDLLLLYIFGVEKVEDVKEYKLTAADWEKIHEISAKRYGNWDWNYGKSPKFDLTRTKRFPVGAVDVRLNVQKGVITDIKIFGDFFGVKNVADIEEKLVNTTYKREVLAEALVDIDVKEYFGNITKDEFLDLLY
Complex: LPA_A_5(2C8M) / Model_11(2C8M/A) = [3.8] Download433.262.48MYFIDNNNEKDPRINLAVEEFILTELNLDEPVLLFYINKPSIIIGRNQNTVEEIDTEYVEKNDVIVVRRLSGGGAVYHDEGNLNFSFITEDDGESFHNFAKFTQPIVEALKRLGVNAELKGRNDLLIDGFKVSGNAQFATKGKMFSHGTLMYDLNLDNVAASLKPRKDKIESKGIKSVRSRVANISDFMDQEMTTEEFRDLLLLYIFGVEKVEDVKEYKLTAADWEKIHEISAKRYGNWDWNYGKSPKFDLTRTKRFPVGAVDVRLNVQKGVITDIKIFGDFFGVKNVADIEEKLVNTTYKREVLAEALVDIDVKEYFGNITKDEFLDLLY
Consensus
[pKd Mean = 3.50]		-710
(s=486)		7
(s=7)		MYFIDNNNEKDPRINLAVEEFILTELNLDEPVLLFYINKPSIIIGRNQNTVEEIDTEYVEKNDVIVVRRLSGGGAVYHDEGNLNFSFITEDDGESFHNFAKFTQPIVEALKRLGVNAELKGRNDLLIDGFKVSGNAQFATKGKMFSHGTLMYDLNLDNVAASLKPRKDKIESKGIKSVRSRVANISDFMDQEMTTEEFRDLLLLYIFGVEKVEDVKEYKLTAADWEKIHEISAKRYGNWDWNYGKSPKFDLTRTKRFPVGAVDVRLNVQKGVITDIKIFGDFFGVKNVADIEEKLVNTTYKREVLAEALVDIDVKEYFGNITKDEFLDLLY