Study : Lmo1207 (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: ATP_J_5(4YMV) / Model_19(4YMV/J) = [3.6] Download802.1312.06LLKTEHISFQYEDGKQALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLAYTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQGKKILISSHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN
Complex: LMT_A_7(4MKI) / Model_21(4MKI/A) = [4.3] Download1147.0136.43LLKTEHISFQYEDGKQALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLAYTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQGKKILISSHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN
Complex: ADP_A_5(4HLU) / Model_25(4HLU/A) = [4.6] Download794.9612.69LLKTEHISFQYEDGKQALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLAYTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQGKKILISSHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN
Complex: ATP_J_5(4YMU) / Model_18(4YMU/J) = [4.7] Download1082.3614.07LLKTEHISFQYEDGKQALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLAYTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQGKKILISSHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN
Complex: LMT_B_4(4MKI) / Model_2(4MKI/B) = [4.8] Download1293.0734.73LLKTEHISFQYEDGKQALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLAYTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQGKKILISSHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN
Consensus
[pKd Mean = 4.40]
-1023
(s=196)
21
(s=11)
LLKTEHISFQYEDGKQALTDVSIDLEKGNIIGLIGANGSGKSTLFMQLLGINKPSDGTVYFEGKPLAYTKKALFALRKKVSIVFQDPDQQIFYSNVRDDVAFALRNLGVSESEVEARVTKVLDIVGAKDFQHKPVQYLSYGQKKRVAIAGALVLDTDWLLLDEPTAGLDPIGKKIMMEIIERLASQGKKILISSHDIDLIYEICDYVYMLKDGSVLTDGETSSVFLEKSNIELAGLVQPWLIKLHQQAGYPLFKKEADFFAHTGKVTN