Study : bsu13390 (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: UDP_A_5(5EKE) / Model_49(5EKE/A) = [3.6] Download875.561.59MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLGIKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS
Complex: UDP_D_11(5EKP) / Model_21(5EKP/D) = [3.6] Download759.737.88MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLGIKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS
Complex: UDP_C_5(5EKP) / Model_1(5EKP/C) = [3.8] Download835.497.88MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLGIKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS
Complex: UDP_A_5(5EKE) / Model_27(5EKE/A) = [3.9] Download1035.411.59MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLGIKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS
Complex: UDP_A_5(5EKE) / Model_2(5EKE/A) = [3.9] Download1050.811.59MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLGIKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS
Consensus
[pKd Mean = 3.76]
-911
(s=113)
4
(s=3)
MKQSQPVLTIVVPCFNEEEVFQETSHQLTEVVDDLIEEKLIAEDSKILFVDDGSKDRTWALIAMESIRNKKVTGLKLACNVGHQKALLAGLHKAKNRSDCVISIDADLQDDISVIRDFMLKYHEGCEIVYGVRRSRKTDTFFKRTTALGFYRLMNKLGIKLIYNHADFRLMNKRSLEELERYPEANLFLRGIVPMIGFKSAEVLYDRKERFAGKTKYPLKKMLSFAFNGITSFSVAPIRFFTLLGFVLFFLSAVAGIGAFIQKLLGHTNAGWASLIISIWFLGGLQLMGIGIIGEYIGTIFSEVKRRPKYAIDIDLYNEQLSPLQRQEKERLEKKYS