Study : bsu13620 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: KMT_A_3(5I8Y) / Model_7(5I8Y/A) = [3.1] Download443.9323.47MATIRIHDEANTTIENQEEVASFLDSQEVIYEQWDITRLPEHLSEKYDLTEEEKQQILDTFETEIKDISTRRGYKAQDVISLSDSNPKLDELLENFKREHHHTDDEVRFIVSGHGIFVIQGQDGTFFDVRLNPGDLISVPENIRHYFTLQEDRKVVAVRIFVTTEGWVPIYEKDSVNQ
Complex: IPA_A_4(5I8T) / Model_6(5I8T/A) = [3.1] Download348.6217.17MATIRIHDEANTTIENQEEVASFLDSQEVIYEQWDITRLPEHLSEKYDLTEEEKQQILDTFETEIKDISTRRGYKAQDVISLSDSNPKLDELLENFKREHHHTDDEVRFIVSGHGIFVIQGQDGTFFDVRLNPGDLISVPENIRHYFTLQEDRKVVAVRIFVTTEGWVPIYEKDSVNQ
Complex: 69O_A_3(5I93) / Model_9(5I93/A) = [3.3] Download461.7518.56MATIRIHDEANTTIENQEEVASFLDSQEVIYEQWDITRLPEHLSEKYDLTEEEKQQILDTFETEIKDISTRRGYKAQDVISLSDSNPKLDELLENFKREHHHTDDEVRFIVSGHGIFVIQGQDGTFFDVRLNPGDLISVPENIRHYFTLQEDRKVVAVRIFVTTEGWVPIYEKDSVNQ
Consensus
[pKd Mean = 3.17]
-418
(s=49)
19
(s=2)
MATIRIHDEANTTIENQEEVASFLDSQEVIYEQWDITRLPEHLSEKYDLTEEEKQQILDTFETEIKDISTRRGYKAQDVISLSDSNPKLDELLENFKREHHHTDDEVRFIVSGHGIFVIQGQDGTFFDVRLNPGDLISVPENIRHYFTLQEDRKVVAVRIFVTTEGWVPIYEKDSVNQ