Study : jhp_0569 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: H6P_B_8(4S23) / Model_24(4S23/B) = [4.8] Download475.32-6.74MLENRVKTKQIFIGGVAIGGDAPISTQSMTFSKTADIESTKNQIDRFKLAGADLVRVAVSNEKDALALKELKKVSPLPLIADIHFHYKFALIAAQSVDAIRINPGNIGSKDKIKAVVDACKEKNIPIRIGVNAGSLEKQFDQKYGPTPKGMVESALYNAKLLEDLDFTDFKISLKASDVVRTIEAYRMLRPLVIYPFHLGVTEAGNLFSSSIKSAMALGGLLMEGIGDTMRVSITGELENEIKVARAILRHSGRLKEGINWISCPTCGRIEANLVDMASKVEKRLSHIKTPLDISVMGCVVNALGEAKHADMAIAFGNRSGLIIKEGKVIHKLAEKDLFETFVIEVENLAKEREKSLKD
Complex: DPO_A_3(4S3D) / Model_5(4S3D/A) = [5.0] Download394.71-0.42MLENRVKTKQIFIGGVAIGGDAPISTQSMTFSKTADIESTKNQIDRFKLAGADLVRVAVSNEKDALALKELKKVSPLPLIADIHFHYKFALIAAQSVDAIRINPGNIGSKDKIKAVVDACKEKNIPIRIGVNAGSLEKQFDQKYGPTPKGMVESALYNAKLLEDLDFTDFKISLKASDVVRTIEAYRMLRPLVIYPFHLGVTEAGNLFSSSIKSAMALGGLLMEGIGDTMRVSITGELENEIKVARAILRHSGRLKEGINWISCPTCGRIEANLVDMASKVEKRLSHIKTPLDISVMGCVVNALGEAKHADMAIAFGNRSGLIIKEGKVIHKLAEKDLFETFVIEVENLAKEREKSLKD
Complex: H6P_A_3(4S39) / Model_3(4S39/A) = [5.3] Download373.36-1.55MLENRVKTKQIFIGGVAIGGDAPISTQSMTFSKTADIESTKNQIDRFKLAGADLVRVAVSNEKDALALKELKKVSPLPLIADIHFHYKFALIAAQSVDAIRINPGNIGSKDKIKAVVDACKEKNIPIRIGVNAGSLEKQFDQKYGPTPKGMVESALYNAKLLEDLDFTDFKISLKASDVVRTIEAYRMLRPLVIYPFHLGVTEAGNLFSSSIKSAMALGGLLMEGIGDTMRVSITGELENEIKVARAILRHSGRLKEGINWISCPTCGRIEANLVDMASKVEKRLSHIKTPLDISVMGCVVNALGEAKHADMAIAFGNRSGLIIKEGKVIHKLAEKDLFETFVIEVENLAKEREKSLKD
Complex: 43W_A_3(4S3F) / Model_7(4S3F/A) = [5.5] Download473.23-0.42MLENRVKTKQIFIGGVAIGGDAPISTQSMTFSKTADIESTKNQIDRFKLAGADLVRVAVSNEKDALALKELKKVSPLPLIADIHFHYKFALIAAQSVDAIRINPGNIGSKDKIKAVVDACKEKNIPIRIGVNAGSLEKQFDQKYGPTPKGMVESALYNAKLLEDLDFTDFKISLKASDVVRTIEAYRMLRPLVIYPFHLGVTEAGNLFSSSIKSAMALGGLLMEGIGDTMRVSITGELENEIKVARAILRHSGRLKEGINWISCPTCGRIEANLVDMASKVEKRLSHIKTPLDISVMGCVVNALGEAKHADMAIAFGNRSGLIIKEGKVIHKLAEKDLFETFVIEVENLAKEREKSLKD
Complex: H6P_A_5(4S23) / Model_11(4S23/A) = [5.7] Download616.03-1.55MLENRVKTKQIFIGGVAIGGDAPISTQSMTFSKTADIESTKNQIDRFKLAGADLVRVAVSNEKDALALKELKKVSPLPLIADIHFHYKFALIAAQSVDAIRINPGNIGSKDKIKAVVDACKEKNIPIRIGVNAGSLEKQFDQKYGPTPKGMVESALYNAKLLEDLDFTDFKISLKASDVVRTIEAYRMLRPLVIYPFHLGVTEAGNLFSSSIKSAMALGGLLMEGIGDTMRVSITGELENEIKVARAILRHSGRLKEGINWISCPTCGRIEANLVDMASKVEKRLSHIKTPLDISVMGCVVNALGEAKHADMAIAFGNRSGLIIKEGKVIHKLAEKDLFETFVIEVENLAKEREKSLKD
Consensus
[pKd Mean = 5.26]
-466
(s=85)
-2
(s=2)
MLENRVKTKQIFIGGVAIGGDAPISTQSMTFSKTADIESTKNQIDRFKLAGADLVRVAVSNEKDALALKELKKVSPLPLIADIHFHYKFALIAAQSVDAIRINPGNIGSKDKIKAVVDACKEKNIPIRIGVNAGSLEKQFDQKYGPTPKGMVESALYNAKLLEDLDFTDFKISLKASDVVRTIEAYRMLRPLVIYPFHLGVTEAGNLFSSSIKSAMALGGLLMEGIGDTMRVSITGELENEIKVARAILRHSGRLKEGINWISCPTCGRIEANLVDMASKVEKRLSHIKTPLDISVMGCVVNALGEAKHADMAIAFGNRSGLIIKEGKVIHKLAEKDLFETFVIEVENLAKEREKSLKD