Study : Rv0035 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: POP_A_3(3LNV) / Model_2(3LNV/A) = [3.7] Download619.701.47MTAALLSPAIAWQQISACTDRTLTITCEDSEVISYQDLIARAAACIPPLRRLDLKRGEPVLITAHTNLEFLSCFLGLMLHGAVPVPIPPREALKTTERFMTRLGPLLRHHRVLICTPAEHDEIRAAASTDCQISRFTALAEAGDEQFGRATAQQLADTATADWPLCTLDDDAYVQYTSGSTAAPRGVVITYRNLLSNMRAMAVGSQFQHGDVMGSWLPLHHDMGLVGSLFAALFNSVSAVFTTPHRFLYDPLGFLRLLTSSGATHTFMPNFALEWLINAYHRRGADIEGIDLHKMRRLIIASEPVHAEGMRRFAATFAGVGLAPTALGSGYGLAEATVAVSMSAPNTGFRTETHAAAEVVTGGRVLPGYEVRIDAAPGARAGTIKLRGDSVAAKAYVGGKKLDALDEEGFCDTHDLGFLVDDEIVILGRQDEVFIVHGENRFPYDIEFIIRGESEQHRTKVACFGVNERVVVVLESPLDSIIDKAEADRLRCQVVAATGLQLDELITVRRGAIPTTTSGKLKRRAVAQAYRDGTLPRLATHAWTADPDSAPKTTRSSLEGAH
Complex: ATP_A_4(5D6J) / Model_5(5D6J/A) = [8.6] Download806.579.65MTAALLSPAIAWQQISACTDRTLTITCEDSEVISYQDLIARAAACIPPLRRLDLKRGEPVLITAHTNLEFLSCFLGLMLHGAVPVPIPPREALKTTERFMTRLGPLLRHHRVLICTPAEHDEIRAAASTDCQISRFTALAEAGDEQFGRATAQQLADTATADWPLCTLDDDAYVQYTSGSTAAPRGVVITYRNLLSNMRAMAVGSQFQHGDVMGSWLPLHHDMGLVGSLFAALFNSVSAVFTTPHRFLYDPLGFLRLLTSSGATHTFMPNFALEWLINAYHRRGADIEGIDLHKMRRLIIASEPVHAEGMRRFAATFAGVGLAPTALGSGYGLAEATVAVSMSAPNTGFRTETHAAAEVVTGGRVLPGYEVRIDAAPGARAGTIKLRGDSVAAKAYVGGKKLDALDEEGFCDTHDLGFLVDDEIVILGRQDEVFIVHGENRFPYDIEFIIRGESEQHRTKVACFGVNERVVVVLESPLDSIIDKAEADRLRCQVVAATGLQLDELITVRRGAIPTTTSGKLKRRAVAQAYRDGTLPRLATHAWTADPDSAPKTTRSSLEGAH
Consensus
[pKd Mean = 6.15]
-713
(s=93)
5
(s=4)
MTAALLSPAIAWQQISACTDRTLTITCEDSEVISYQDLIARAAACIPPLRRLDLKRGEPVLITAHTNLEFLSCFLGLMLHGAVPVPIPPREALKTTERFMTRLGPLLRHHRVLICTPAEHDEIRAAASTDCQISRFTALAEAGDEQFGRATAQQLADTATADWPLCTLDDDAYVQYTSGSTAAPRGVVITYRNLLSNMRAMAVGSQFQHGDVMGSWLPLHHDMGLVGSLFAALFNSVSAVFTTPHRFLYDPLGFLRLLTSSGATHTFMPNFALEWLINAYHRRGADIEGIDLHKMRRLIIASEPVHAEGMRRFAATFAGVGLAPTALGSGYGLAEATVAVSMSAPNTGFRTETHAAAEVVTGGRVLPGYEVRIDAAPGARAGTIKLRGDSVAAKAYVGGKKLDALDEEGFCDTHDLGFLVDDEIVILGRQDEVFIVHGENRFPYDIEFIIRGESEQHRTKVACFGVNERVVVVLESPLDSIIDKAEADRLRCQVVAATGLQLDELITVRRGAIPTTTSGKLKRRAVAQAYRDGTLPRLATHAWTADPDSAPKTTRSSLEGAH