Study : B4D7J5_9BACT (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: BEZ_A_2(6EF6) / Model_43(6EF6/A) = [3.2] Download368.2038.63MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAKRIFDTTPNFYQLRIEAYLLATGVKHPELRPLFEAEAARLAATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS
Complex: ZIT_A_3(5IGI) / Model_42(5IGI/A) = [4.3] Download2043.4418.71MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAKRIFDTTPNFYQLRIEAYLLATGVKHPELRPLFEAEAARLAATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS
Complex: ADP_A_11(2PYW) / Model_33(2PYW/A) = [4.5] Download916.2628.00MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAKRIFDTTPNFYQLRIEAYLLATGVKHPELRPLFEAEAARLAATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS
Complex: AMP_A_3(4R78) / Model_50(4R78/A) = [4.5] Download978.0831.91MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAKRIFDTTPNFYQLRIEAYLLATGVKHPELRPLFEAEAARLAATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS
Complex: ADP_A_6(2OLC) / Model_64(2OLC/A) = [5.5] Download1370.8128.04MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAKRIFDTTPNFYQLRIEAYLLATGVKHPELRPLFEAEAARLAATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS
Consensus
[pKd Mean = 4.40]
-1135
(s=555)
29
(s=6)
MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAKRIFDTTPNFYQLRIEAYLLATGVKHPELRPLFEAEAARLAATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAPREVGMRRMVEAFWAAYQTGRPTPELETRVGRLLVMLLLARVDGKSPVEYLDVGRQDFVRQFARVMLHEEAPSLGVVTNAWFARLSQFTS