Study : Lmo0613 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: 2XX_A_3(4IDD) / Model_5(4IDD/A) = [3.1] Download746.8440.41MKAVVIENYGGKEELKEKEVAMPKAGKNQVIVKEAATSINPIDWKLREGYLKQMMDWEFPIILGWDVAGVISEVGEGVTDWKVGDEVFARPETTRFGTYAEYTAVDDHLLAPLPEGISFDEAASIPLAGLTAWQALFDHAKLQKGEKVLIHAGAGGVGTLAIQLAKHAGAEVITTASAKNHELLKSLGADQVIDYKEVNFKDVLSDIDVVFDTMGGQIETDSYDVLKEGTGRLVSIVGISNEDRAKEKNVTATGIWLQPNGEQLKELGKLLANKTIKPIVGATFPFSEKGVFDAHALSETHHAVGKIVISFNK
Complex: NDP_D_8(4RVU) / Model_24(4RVU/D) = [4.5] Download1720.1525.43MKAVVIENYGGKEELKEKEVAMPKAGKNQVIVKEAATSINPIDWKLREGYLKQMMDWEFPIILGWDVAGVISEVGEGVTDWKVGDEVFARPETTRFGTYAEYTAVDDHLLAPLPEGISFDEAASIPLAGLTAWQALFDHAKLQKGEKVLIHAGAGGVGTLAIQLAKHAGAEVITTASAKNHELLKSLGADQVIDYKEVNFKDVLSDIDVVFDTMGGQIETDSYDVLKEGTGRLVSIVGISNEDRAKEKNVTATGIWLQPNGEQLKELGKLLANKTIKPIVGATFPFSEKGVFDAHALSETHHAVGKIVISFNK
Complex: NDP_B_6(4RVU) / Model_26(4RVU/B) = [4.6] Download1776.4025.43MKAVVIENYGGKEELKEKEVAMPKAGKNQVIVKEAATSINPIDWKLREGYLKQMMDWEFPIILGWDVAGVISEVGEGVTDWKVGDEVFARPETTRFGTYAEYTAVDDHLLAPLPEGISFDEAASIPLAGLTAWQALFDHAKLQKGEKVLIHAGAGGVGTLAIQLAKHAGAEVITTASAKNHELLKSLGADQVIDYKEVNFKDVLSDIDVVFDTMGGQIETDSYDVLKEGTGRLVSIVGISNEDRAKEKNVTATGIWLQPNGEQLKELGKLLANKTIKPIVGATFPFSEKGVFDAHALSETHHAVGKIVISFNK
Complex: NDP_C_7(4RVU) / Model_25(4RVU/C) = [4.6] Download1793.3825.43MKAVVIENYGGKEELKEKEVAMPKAGKNQVIVKEAATSINPIDWKLREGYLKQMMDWEFPIILGWDVAGVISEVGEGVTDWKVGDEVFARPETTRFGTYAEYTAVDDHLLAPLPEGISFDEAASIPLAGLTAWQALFDHAKLQKGEKVLIHAGAGGVGTLAIQLAKHAGAEVITTASAKNHELLKSLGADQVIDYKEVNFKDVLSDIDVVFDTMGGQIETDSYDVLKEGTGRLVSIVGISNEDRAKEKNVTATGIWLQPNGEQLKELGKLLANKTIKPIVGATFPFSEKGVFDAHALSETHHAVGKIVISFNK
Complex: NDP_A_5(4RVU) / Model_19(4RVU/A) = [5.0] Download1868.4925.43MKAVVIENYGGKEELKEKEVAMPKAGKNQVIVKEAATSINPIDWKLREGYLKQMMDWEFPIILGWDVAGVISEVGEGVTDWKVGDEVFARPETTRFGTYAEYTAVDDHLLAPLPEGISFDEAASIPLAGLTAWQALFDHAKLQKGEKVLIHAGAGGVGTLAIQLAKHAGAEVITTASAKNHELLKSLGADQVIDYKEVNFKDVLSDIDVVFDTMGGQIETDSYDVLKEGTGRLVSIVGISNEDRAKEKNVTATGIWLQPNGEQLKELGKLLANKTIKPIVGATFPFSEKGVFDAHALSETHHAVGKIVISFNK
Consensus
[pKd Mean = 4.36]
-1581
(s=419)
28
(s=6)
MKAVVIENYGGKEELKEKEVAMPKAGKNQVIVKEAATSINPIDWKLREGYLKQMMDWEFPIILGWDVAGVISEVGEGVTDWKVGDEVFARPETTRFGTYAEYTAVDDHLLAPLPEGISFDEAASIPLAGLTAWQALFDHAKLQKGEKVLIHAGAGGVGTLAIQLAKHAGAEVITTASAKNHELLKSLGADQVIDYKEVNFKDVLSDIDVVFDTMGGQIETDSYDVLKEGTGRLVSIVGISNEDRAKEKNVTATGIWLQPNGEQLKELGKLLANKTIKPIVGATFPFSEKGVFDAHALSETHHAVGKIVISFNK