Study : gbs1293 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: G3P_A_5(3QVQ) / Model_49(3QVQ/A) = [3.4] Download356.3521.83MLRALKEDFFLTLTSLKNQFWVYIGTGILIQTLVAYLVKGILSFIFRRILILSNTPAVTKDNWTLLFNHPLALLLFILYIVILIGFIYTEFAIYTIAILKTEFSLSIKKWLTIFPKKIKSLLGPQLIWVSIYLLLTIPLANLGLRSSILEHLKIPDFISGELTKTVFGKIGYSTLLLLICYLNLRLIYFLPLTILTDYNAKEALLESWKLSRGKHQWRLLSKIILTSLFISVIGTVALAVVAGTSSFIDHSGNNFPLQATFYNLLKSILFAVTLLIKCLIISHLLADIKQNKSIVQQWRAWKGVQHKQKFKHIACVILALAIGTTALKNAIALALLQDNISIKKELIAHRGDTSHGVENSIEALKAAHKAKADYSEMDVIMTKDHKLVVIHDDNLKRLSGMNKDVSKLTLDQVTKIPIHQGRFASHIPSFAEFMKTAQSLDQKIMIELKPYNQNLDIYADEFIKEFKELRLSTKHKVMSLNLTLIEKVEKKLPQLDTGYLIPLHWGTLQNHNVDFYGIEEFSYNDWIAYLAQEYNKQLYVWTINRDNLMIRYLQSPVNGIITDELNLFKVINKDIKNSPNYYQRALQLIDSEG
Complex: CIT_A_2(3CH0) / Model_59(3CH0/A) = [3.5] Download637.1318.87MLRALKEDFFLTLTSLKNQFWVYIGTGILIQTLVAYLVKGILSFIFRRILILSNTPAVTKDNWTLLFNHPLALLLFILYIVILIGFIYTEFAIYTIAILKTEFSLSIKKWLTIFPKKIKSLLGPQLIWVSIYLLLTIPLANLGLRSSILEHLKIPDFISGELTKTVFGKIGYSTLLLLICYLNLRLIYFLPLTILTDYNAKEALLESWKLSRGKHQWRLLSKIILTSLFISVIGTVALAVVAGTSSFIDHSGNNFPLQATFYNLLKSILFAVTLLIKCLIISHLLADIKQNKSIVQQWRAWKGVQHKQKFKHIACVILALAIGTTALKNAIALALLQDNISIKKELIAHRGDTSHGVENSIEALKAAHKAKADYSEMDVIMTKDHKLVVIHDDNLKRLSGMNKDVSKLTLDQVTKIPIHQGRFASHIPSFAEFMKTAQSLDQKIMIELKPYNQNLDIYADEFIKEFKELRLSTKHKVMSLNLTLIEKVEKKLPQLDTGYLIPLHWGTLQNHNVDFYGIEEFSYNDWIAYLAQEYNKQLYVWTINRDNLMIRYLQSPVNGIITDELNLFKVINKDIKNSPNYYQRALQLIDSEG
Consensus
[pKd Mean = 3.45]
-496
(s=140)
20
(s=1)
MLRALKEDFFLTLTSLKNQFWVYIGTGILIQTLVAYLVKGILSFIFRRILILSNTPAVTKDNWTLLFNHPLALLLFILYIVILIGFIYTEFAIYTIAILKTEFSLSIKKWLTIFPKKIKSLLGPQLIWVSIYLLLTIPLANLGLRSSILEHLKIPDFISGELTKTVFGKIGYSTLLLLICYLNLRLIYFLPLTILTDYNAKEALLESWKLSRGKHQWRLLSKIILTSLFISVIGTVALAVVAGTSSFIDHSGNNFPLQATFYNLLKSILFAVTLLIKCLIISHLLADIKQNKSIVQQWRAWKGVQHKQKFKHIACVILALAIGTTALKNAIALALLQDNISIKKELIAHRGDTSHGVENSIEALKAAHKAKADYSEMDVIMTKDHKLVVIHDDNLKRLSGMNKDVSKLTLDQVTKIPIHQGRFASHIPSFAEFMKTAQSLDQKIMIELKPYNQNLDIYADEFIKEFKELRLSTKHKVMSLNLTLIEKVEKKLPQLDTGYLIPLHWGTLQNHNVDFYGIEEFSYNDWIAYLAQEYNKQLYVWTINRDNLMIRYLQSPVNGIITDELNLFKVINKDIKNSPNYYQRALQLIDSEG