Study : PA3254 (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: ADP_A_5(2OLJ) / Model_70(2OLJ/A) = [4.8] Download1140.201.19MSFVSVEQLDKSYGATSIFRDIDFAAARGEFVTLLGPSGCGKSTLLRCIAGLTEVDSGRILIDGEDVVPLPPQKRGIAMVFQSYALFPNMTVQQNVAFGLRMQKVPAAELKQRVAEAIELVELGEYAARYPHQLSGGQCQRVALARSLVTRPRLLLLDEPLSALDARIRKHLREQIRRIQQELGLTTVFVTHDQEEALTLSDRIVLMNAGRIVQSGDAETLYTAPENAFAAGFIGNYNLLDAEQASRLLGQSCAQQVAIRPESLRLGNEPSEGVPALVRSHSLLGNVIRYRVEAAGVELTVDVLNRSADRLYPAGSQLTLVIDRNSIREVA
Complex: AGS_B_6(3C4J) / Model_57(3C4J/B) = [5.0] Download1226.906.82MSFVSVEQLDKSYGATSIFRDIDFAAARGEFVTLLGPSGCGKSTLLRCIAGLTEVDSGRILIDGEDVVPLPPQKRGIAMVFQSYALFPNMTVQQNVAFGLRMQKVPAAELKQRVAEAIELVELGEYAARYPHQLSGGQCQRVALARSLVTRPRLLLLDEPLSALDARIRKHLREQIRRIQQELGLTTVFVTHDQEEALTLSDRIVLMNAGRIVQSGDAETLYTAPENAFAAGFIGNYNLLDAEQASRLLGQSCAQQVAIRPESLRLGNEPSEGVPALVRSHSLLGNVIRYRVEAAGVELTVDVLNRSADRLYPAGSQLTLVIDRNSIREVA
Complex: AT4_C_7(2OLK) / Model_66(2OLK/C) = [5.2] Download1173.411.41MSFVSVEQLDKSYGATSIFRDIDFAAARGEFVTLLGPSGCGKSTLLRCIAGLTEVDSGRILIDGEDVVPLPPQKRGIAMVFQSYALFPNMTVQQNVAFGLRMQKVPAAELKQRVAEAIELVELGEYAARYPHQLSGGQCQRVALARSLVTRPRLLLLDEPLSALDARIRKHLREQIRRIQQELGLTTVFVTHDQEEALTLSDRIVLMNAGRIVQSGDAETLYTAPENAFAAGFIGNYNLLDAEQASRLLGQSCAQQVAIRPESLRLGNEPSEGVPALVRSHSLLGNVIRYRVEAAGVELTVDVLNRSADRLYPAGSQLTLVIDRNSIREVA
Complex: ADP_A_5(2Q0H) / Model_60(2Q0H/A) = [5.2] Download862.232.43MSFVSVEQLDKSYGATSIFRDIDFAAARGEFVTLLGPSGCGKSTLLRCIAGLTEVDSGRILIDGEDVVPLPPQKRGIAMVFQSYALFPNMTVQQNVAFGLRMQKVPAAELKQRVAEAIELVELGEYAARYPHQLSGGQCQRVALARSLVTRPRLLLLDEPLSALDARIRKHLREQIRRIQQELGLTTVFVTHDQEEALTLSDRIVLMNAGRIVQSGDAETLYTAPENAFAAGFIGNYNLLDAEQASRLLGQSCAQQVAIRPESLRLGNEPSEGVPALVRSHSLLGNVIRYRVEAAGVELTVDVLNRSADRLYPAGSQLTLVIDRNSIREVA
Complex: AT4_A_5(2OLK) / Model_68(2OLK/A) = [5.2] Download982.09-0.12MSFVSVEQLDKSYGATSIFRDIDFAAARGEFVTLLGPSGCGKSTLLRCIAGLTEVDSGRILIDGEDVVPLPPQKRGIAMVFQSYALFPNMTVQQNVAFGLRMQKVPAAELKQRVAEAIELVELGEYAARYPHQLSGGQCQRVALARSLVTRPRLLLLDEPLSALDARIRKHLREQIRRIQQELGLTTVFVTHDQEEALTLSDRIVLMNAGRIVQSGDAETLYTAPENAFAAGFIGNYNLLDAEQASRLLGQSCAQQVAIRPESLRLGNEPSEGVPALVRSHSLLGNVIRYRVEAAGVELTVDVLNRSADRLYPAGSQLTLVIDRNSIREVA
Consensus
[pKd Mean = 5.08]
-1076
(s=134)
2
(s=2)
MSFVSVEQLDKSYGATSIFRDIDFAAARGEFVTLLGPSGCGKSTLLRCIAGLTEVDSGRILIDGEDVVPLPPQKRGIAMVFQSYALFPNMTVQQNVAFGLRMQKVPAAELKQRVAEAIELVELGEYAARYPHQLSGGQCQRVALARSLVTRPRLLLLDEPLSALDARIRKHLREQIRRIQQELGLTTVFVTHDQEEALTLSDRIVLMNAGRIVQSGDAETLYTAPENAFAAGFIGNYNLLDAEQASRLLGQSCAQQVAIRPESLRLGNEPSEGVPALVRSHSLLGNVIRYRVEAAGVELTVDVLNRSADRLYPAGSQLTLVIDRNSIREVA