Study : G8LJL9_ENTCL_ (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: GMP_A_2(5IGI) / Model_37(5IGI/A) = [3.4] Download1199.8524.84MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG
Complex: PQ7_A_11(5FUT) / Model_26(5FUT/A) = [4.8] Download1409.4122.24MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG
Complex: ADP_A_6(2OLC) / Model_54(2OLC/A) = [5.0] Download1188.5819.43MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG
Complex: ADP_B_9(3MES) / Model_32(3MES/B) = [5.1] Download1245.4118.64MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG
Complex: ADP_A_3(3MES) / Model_33(3MES/A) = [5.4] Download1132.7124.19MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG
Consensus
[pKd Mean = 4.74]
-1235
(s=94)
21
(s=2)
MPLRNSDRTREEILTRYFPQYRLIAPQAPSGLGGASCIIEQGEQRLVLRQNHDPLASSSHFRRQFRALKRLPADLVPKPRFYRQGWMAVEYLAGEIGNTLPETAVLAAMLCHLHRQPRLGWRVTLLPLLEQYWQQASADRRTPFWLAQLKRLRKTGEPQPLRLSPLHMDVHAGNIVHTSLGARLIDWEYAGDGDVALELAAVWSEDDAARQRLITDYARVAHMNADALRRQVRRWRPWVVMLMAGWFEMRFQQSRDKQFIALADDAWRQLQTKG