Study : PA1454 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: ADP_B_4(4RZ3) / Model_2(4RZ3/A) = [3.3] Download926.462.14MKQMGSMHPVQVIAVTGGKGGVGKTNVSVNLALALADLGRRVMLLDADLGLANVDVLLGLTPKRTLADVIEGRCELRDVLLLGPGGVRIVPAASGTQSMVHLSPMQHAGLIQAFSDISDNLDVLVVDTAAGIGDSVVSFVRAAQEVLLVVCDEPTSITDAYALIKLLNRDHGMTRFRVLANMAHSPQEGRNLFAKLTKVTDRFLDVALQYVGVIPYDESVRKAVQKQRAVYEAFPRSKASLAFKAVAQKVDSWPLPANPRGHLEFFVERLVQHPATGSAV
Complex: ADP_B_4(4RZ3) / Model_21(4RZ3/B) = [8.0] Download955.1324.15MKQMGSMHPVQVIAVTGGKGGVGKTNVSVNLALALADLGRRVMLLDADLGLANVDVLLGLTPKRTLADVIEGRCELRDVLLLGPGGVRIVPAASGTQSMVHLSPMQHAGLIQAFSDISDNLDVLVVDTAAGIGDSVVSFVRAAQEVLLVVCDEPTSITDAYALIKLLNRDHGMTRFRVLANMAHSPQEGRNLFAKLTKVTDRFLDVALQYVGVIPYDESVRKAVQKQRAVYEAFPRSKASLAFKAVAQKVDSWPLPANPRGHLEFFVERLVQHPATGSAV
Complex: ADP_A_3(4RZ3) / Model_2(4RZ3/A) = [8.4] Download1096.9626.96MKQMGSMHPVQVIAVTGGKGGVGKTNVSVNLALALADLGRRVMLLDADLGLANVDVLLGLTPKRTLADVIEGRCELRDVLLLGPGGVRIVPAASGTQSMVHLSPMQHAGLIQAFSDISDNLDVLVVDTAAGIGDSVVSFVRAAQEVLLVVCDEPTSITDAYALIKLLNRDHGMTRFRVLANMAHSPQEGRNLFAKLTKVTDRFLDVALQYVGVIPYDESVRKAVQKQRAVYEAFPRSKASLAFKAVAQKVDSWPLPANPRGHLEFFVERLVQHPATGSAV
Consensus
[pKd Mean = 6.57]
-992
(s=74)
17
(s=11)
MKQMGSMHPVQVIAVTGGKGGVGKTNVSVNLALALADLGRRVMLLDADLGLANVDVLLGLTPKRTLADVIEGRCELRDVLLLGPGGVRIVPAASGTQSMVHLSPMQHAGLIQAFSDISDNLDVLVVDTAAGIGDSVVSFVRAAQEVLLVVCDEPTSITDAYALIKLLNRDHGMTRFRVLANMAHSPQEGRNLFAKLTKVTDRFLDVALQYVGVIPYDESVRKAVQKQRAVYEAFPRSKASLAFKAVAQKVDSWPLPANPRGHLEFFVERLVQHPATGSAV