Study : bsu23800 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: NAP_A_2(2AG8) / Model_13(2AG8/A) = [3.4] Download1950.4411.46MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYIKDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIGDATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS
Complex: PRO_E_15(2AMF) / Model_69(2AMF/E) = [3.7] Download4202.9723.00MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYIKDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIGDATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS
Complex: PRO_A_14(2AMF) / Model_70(2AMF/D) = [3.7] Download5015.8122.71MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYIKDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIGDATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS
Complex: PRO_D_11(2AMF) / Model_11(2AMF/A) = [3.7] Download4639.9422.93MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYIKDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIGDATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS
Complex: PRO_B_13(2AMF) / Model_71(2AMF/C) = [3.8] Download3804.4521.46MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYIKDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIGDATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS
Consensus
[pKd Mean = 3.66]
-3922
(s=1066)
20
(s=4)
MKKIGFVGAGSMAEAMINGILQSGITKPEHIYITNRSNDERLIELKETYSVRPCRDKNEFFTHTDIIILAFKPKDAAESIDSIRPYIKDQLVISVLAGLTIETIQHYFGRKLAVIRVMPNTSAAIRKSATGFSVSTEASKNDIIAAKALLETIGDATLVEERHLDAVTAIAGSGPAYVYRYIEAMEKAAQKVGLDKETAKALILQTMAGATDMLLQSGKQPEKLRKEITSPGGTTEAGLRALQDSRFEEAIIHCIEETAKRSAEIKEQFAGAALERHS