Study : Lmo0076 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: NACID_F_3(1YFH) / Model_22(1YFH/B) = [3.4] Download--VITNQRDIDKYYDMLVEKNSNYEGVFFVGVKTTGILCRPTCPAKKPLKENCEFFSTAKEALLASYRPCKRCEPLSNPTKLSPAVKLLVDAIEKNPEKKWTDKDFDDLSISANTARRQFKKQFGMTFIEYARSRRLGLAFKHIRGGNSIINAQLDSGYESGNGFRDAFSKTMGEVPHKSKDITILYSAWLETKLGSMLAISDDDSLLLLEFVDRKGLETEIKKLRMRLNAAITPEKTIIIQQIEAELAQYFNGELIDFKTPIRYIGSDFQENVWEELRRIPIGETISYKGLAEKLGRSTASRAVARANGANQLSLIVPCHRVINTNGALGGYGGGLARKEWLIKHEKMVPK
Complex: NACID_E_3(1T39) / Model_23(1T39/B) = [4.3] Download--VITNQRDIDKYYDMLVEKNSNYEGVFFVGVKTTGILCRPTCPAKKPLKENCEFFSTAKEALLASYRPCKRCEPLSNPTKLSPAVKLLVDAIEKNPEKKWTDKDFDDLSISANTARRQFKKQFGMTFIEYARSRRLGLAFKHIRGGNSIINAQLDSGYESGNGFRDAFSKTMGEVPHKSKDITILYSAWLETKLGSMLAISDDDSLLLLEFVDRKGLETEIKKLRMRLNAAITPEKTIIIQQIEAELAQYFNGELIDFKTPIRYIGSDFQENVWEELRRIPIGETISYKGLAEKLGRSTASRAVARANGANQLSLIVPCHRVINTNGALGGYGGGLARKEWLIKHEKMVPK
Complex: NACID_C_1(1T39) / Model_6(1T39/A) = [4.5] Download--VITNQRDIDKYYDMLVEKNSNYEGVFFVGVKTTGILCRPTCPAKKPLKENCEFFSTAKEALLASYRPCKRCEPLSNPTKLSPAVKLLVDAIEKNPEKKWTDKDFDDLSISANTARRQFKKQFGMTFIEYARSRRLGLAFKHIRGGNSIINAQLDSGYESGNGFRDAFSKTMGEVPHKSKDITILYSAWLETKLGSMLAISDDDSLLLLEFVDRKGLETEIKKLRMRLNAAITPEKTIIIQQIEAELAQYFNGELIDFKTPIRYIGSDFQENVWEELRRIPIGETISYKGLAEKLGRSTASRAVARANGANQLSLIVPCHRVINTNGALGGYGGGLARKEWLIKHEKMVPK
Complex: NACID_F_3(1YFH) / Model_4(1YFH/A) = [6.0] Download--VITNQRDIDKYYDMLVEKNSNYEGVFFVGVKTTGILCRPTCPAKKPLKENCEFFSTAKEALLASYRPCKRCEPLSNPTKLSPAVKLLVDAIEKNPEKKWTDKDFDDLSISANTARRQFKKQFGMTFIEYARSRRLGLAFKHIRGGNSIINAQLDSGYESGNGFRDAFSKTMGEVPHKSKDITILYSAWLETKLGSMLAISDDDSLLLLEFVDRKGLETEIKKLRMRLNAAITPEKTIIIQQIEAELAQYFNGELIDFKTPIRYIGSDFQENVWEELRRIPIGETISYKGLAEKLGRSTASRAVARANGANQLSLIVPCHRVINTNGALGGYGGGLARKEWLIKHEKMVPK
Consensus
[pKd Mean = 4.55]		-0
(s=0)		0
(s=0)		VITNQRDIDKYYDMLVEKNSNYEGVFFVGVKTTGILCRPTCPAKKPLKENCEFFSTAKEALLASYRPCKRCEPLSNPTKLSPAVKLLVDAIEKNPEKKWTDKDFDDLSISANTARRQFKKQFGMTFIEYARSRRLGLAFKHIRGGNSIINAQLDSGYESGNGFRDAFSKTMGEVPHKSKDITILYSAWLETKLGSMLAISDDDSLLLLEFVDRKGLETEIKKLRMRLNAAITPEKTIIIQQIEAELAQYFNGELIDFKTPIRYIGSDFQENVWEELRRIPIGETISYKGLAEKLGRSTASRAVARANGANQLSLIVPCHRVINTNGALGGYGGGLARKEWLIKHEKMVPK