Study : bsu24280 (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: PPV_A_5(3KRF) / Model_6(3KRF/A) = [3.1] Download757.13-1.69MTNKLTSFLADRKKTIENQLSVYTEKLDMPDSLKKSMLYSLQAGGKRLRPLIVLAVLNAYGKSEKDGIPVGCAVEMIHTYSLIHDDLPCMDDDDLRRGKPTNHKVFGEATAVLAGDGLLTESFKLITSHVSDEVSAEKRLRLVNELISAAGTEGMVGGQVADMEAENRQVTLEELESIHERKTAKLLGFCVIAGAILADAPEEDIETLRTFSSHIGIGFQIRDDILDLEGSEEKIGKRVGSDTTNDKSTYPSLLSLEGAKHKLDVHIKEAKRLIGGLSLQKDLLYELCDLIAARDH
Complex: IPE_B_13(3PDE) / Model_31(3PDE/B) = [3.1] Download742.0114.77MTNKLTSFLADRKKTIENQLSVYTEKLDMPDSLKKSMLYSLQAGGKRLRPLIVLAVLNAYGKSEKDGIPVGCAVEMIHTYSLIHDDLPCMDDDDLRRGKPTNHKVFGEATAVLAGDGLLTESFKLITSHVSDEVSAEKRLRLVNELISAAGTEGMVGGQVADMEAENRQVTLEELESIHERKTAKLLGFCVIAGAILADAPEEDIETLRTFSSHIGIGFQIRDDILDLEGSEEKIGKRVGSDTTNDKSTYPSLLSLEGAKHKLDVHIKEAKRLIGGLSLQKDLLYELCDLIAARDH
Complex: DST_B_9(1RQI) / Model_45(1RQI/B) = [3.1] Download629.8011.80MTNKLTSFLADRKKTIENQLSVYTEKLDMPDSLKKSMLYSLQAGGKRLRPLIVLAVLNAYGKSEKDGIPVGCAVEMIHTYSLIHDDLPCMDDDDLRRGKPTNHKVFGEATAVLAGDGLLTESFKLITSHVSDEVSAEKRLRLVNELISAAGTEGMVGGQVADMEAENRQVTLEELESIHERKTAKLLGFCVIAGAILADAPEEDIETLRTFSSHIGIGFQIRDDILDLEGSEEKIGKRVGSDTTNDKSTYPSLLSLEGAKHKLDVHIKEAKRLIGGLSLQKDLLYELCDLIAARDH
Complex: DST_D_11(3KRO) / Model_24(3KRO/D) = [3.1] Download706.2314.33MTNKLTSFLADRKKTIENQLSVYTEKLDMPDSLKKSMLYSLQAGGKRLRPLIVLAVLNAYGKSEKDGIPVGCAVEMIHTYSLIHDDLPCMDDDDLRRGKPTNHKVFGEATAVLAGDGLLTESFKLITSHVSDEVSAEKRLRLVNELISAAGTEGMVGGQVADMEAENRQVTLEELESIHERKTAKLLGFCVIAGAILADAPEEDIETLRTFSSHIGIGFQIRDDILDLEGSEEKIGKRVGSDTTNDKSTYPSLLSLEGAKHKLDVHIKEAKRLIGGLSLQKDLLYELCDLIAARDH
Complex: IPE_A_6(3PDE) / Model_15(3PDE/A) = [3.1] Download1024.6912.38MTNKLTSFLADRKKTIENQLSVYTEKLDMPDSLKKSMLYSLQAGGKRLRPLIVLAVLNAYGKSEKDGIPVGCAVEMIHTYSLIHDDLPCMDDDDLRRGKPTNHKVFGEATAVLAGDGLLTESFKLITSHVSDEVSAEKRLRLVNELISAAGTEGMVGGQVADMEAENRQVTLEELESIHERKTAKLLGFCVIAGAILADAPEEDIETLRTFSSHIGIGFQIRDDILDLEGSEEKIGKRVGSDTTNDKSTYPSLLSLEGAKHKLDVHIKEAKRLIGGLSLQKDLLYELCDLIAARDH
Consensus
[pKd Mean = 3.10]
-771
(s=133)
10
(s=6)
MTNKLTSFLADRKKTIENQLSVYTEKLDMPDSLKKSMLYSLQAGGKRLRPLIVLAVLNAYGKSEKDGIPVGCAVEMIHTYSLIHDDLPCMDDDDLRRGKPTNHKVFGEATAVLAGDGLLTESFKLITSHVSDEVSAEKRLRLVNELISAAGTEGMVGGQVADMEAENRQVTLEELESIHERKTAKLLGFCVIAGAILADAPEEDIETLRTFSSHIGIGFQIRDDILDLEGSEEKIGKRVGSDTTNDKSTYPSLLSLEGAKHKLDVHIKEAKRLIGGLSLQKDLLYELCDLIAARDH