Study : bsu10250 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: LPA_A_4(1X2H) / Model_5(1X2H/A) = [3.1] Download870.5921.00MLFIDNQNINDPRINLAIEEYCVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHNFKKFTEPVIQALHQLGVEAELSGRNDIVVDGRKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDDKMTTEEFRSHLLRHIFNTNDVGNVPEYKLTEKDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY
Complex: 37R_B_6(4TVY) / Model_21(4TVY/B) = [3.3] Download1742.3811.00MLFIDNQNINDPRINLAIEEYCVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHNFKKFTEPVIQALHQLGVEAELSGRNDIVVDGRKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDDKMTTEEFRSHLLRHIFNTNDVGNVPEYKLTEKDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY
Complex: LPA_B_6(2C8M) / Model_27(2C8M/B) = [3.5] Download519.596.77MLFIDNQNINDPRINLAIEEYCVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHNFKKFTEPVIQALHQLGVEAELSGRNDIVVDGRKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDDKMTTEEFRSHLLRHIFNTNDVGNVPEYKLTEKDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY
Complex: LPA_D_8(2C8M) / Model_25(2C8M/D) = [3.6] Download521.542.48MLFIDNQNINDPRINLAIEEYCVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHNFKKFTEPVIQALHQLGVEAELSGRNDIVVDGRKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDDKMTTEEFRSHLLRHIFNTNDVGNVPEYKLTEKDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY
Complex: LPA_C_7(2C8M) / Model_26(2C8M/C) = [3.7] Download516.712.48MLFIDNQNINDPRINLAIEEYCVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHNFKKFTEPVIQALHQLGVEAELSGRNDIVVDGRKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDDKMTTEEFRSHLLRHIFNTNDVGNVPEYKLTEKDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY
Consensus
[pKd Mean = 3.44]
-834
(s=474)
8
(s=6)
MLFIDNQNINDPRINLAIEEYCVKHLDPEQQYLLFYVNQPSIIIGKNQNTIEEINTKYVEENGIIVVRRLSGGGAVYHDLGNLNFSFITKDDGDSFHNFKKFTEPVIQALHQLGVEAELSGRNDIVVDGRKISGNAQFATKGRIFSHGTLMFDSAIDHVVSALKVKKDKIESKGIKSIRSRVANISEFLDDKMTTEEFRSHLLRHIFNTNDVGNVPEYKLTEKDWETIHQISKERYQNWDWNYGRSPKFNLNHSKRYPVGSIDLHLEVKKGKIEDCKIFGDFFGVGDVSEIENLLVGKQYERSVIADVLEGVNLKHYFGNITKEDFLDLIY