Study : bsu23460 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: ADP_B_7(1L0O) / Model_21(1L0O/B) = [5.3] Download748.1015.77MKNEMHLEFSALSQNESFARVTVASFIAQLDPTMDELTEIKTVVSEAVTNAIIHGYEENCEGKVYISVTLEDHVVYMTIRDEGLGITDLEEARQPLFTTKPELERSGMGFTIMENFMDDVSIDSSPEMGTTIRLTKHLSKSKALCN
Complex: ADP_A_4(1TH8) / Model_3(1TH8/A) = [6.4] Download986.183.41MKNEMHLEFSALSQNESFARVTVASFIAQLDPTMDELTEIKTVVSEAVTNAIIHGYEENCEGKVYISVTLEDHVVYMTIRDEGLGITDLEEARQPLFTTKPELERSGMGFTIMENFMDDVSIDSSPEMGTTIRLTKHLSKSKALCN
Complex: ADP_A_4(1TH8) / Model_33(1TH8/A) = [6.4] Download928.513.41MKNEMHLEFSALSQNESFARVTVASFIAQLDPTMDELTEIKTVVSEAVTNAIIHGYEENCEGKVYISVTLEDHVVYMTIRDEGLGITDLEEARQPLFTTKPELERSGMGFTIMENFMDDVSIDSSPEMGTTIRLTKHLSKSKALCN
Complex: ADP_A_6(1L0O) / Model_23(1L0O/A) = [7.4] Download671.7912.44MKNEMHLEFSALSQNESFARVTVASFIAQLDPTMDELTEIKTVVSEAVTNAIIHGYEENCEGKVYISVTLEDHVVYMTIRDEGLGITDLEEARQPLFTTKPELERSGMGFTIMENFMDDVSIDSSPEMGTTIRLTKHLSKSKALCN
Complex: ADP_A_6(1L0O) / Model_2(1L0O/A) = [7.4] Download745.1212.44MKNEMHLEFSALSQNESFARVTVASFIAQLDPTMDELTEIKTVVSEAVTNAIIHGYEENCEGKVYISVTLEDHVVYMTIRDEGLGITDLEEARQPLFTTKPELERSGMGFTIMENFMDDVSIDSSPEMGTTIRLTKHLSKSKALCN
Consensus
[pKd Mean = 6.58]
-815
(s=120)
9
(s=5)
MKNEMHLEFSALSQNESFARVTVASFIAQLDPTMDELTEIKTVVSEAVTNAIIHGYEENCEGKVYISVTLEDHVVYMTIRDEGLGITDLEEARQPLFTTKPELERSGMGFTIMENFMDDVSIDSSPEMGTTIRLTKHLSKSKALCN