Study : bsu01770 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C3_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 C3_S1
Complex: TLA_A_3(4MRQ) / Model_5(4MRQ/A) = [3.7] Download672.33-19.53MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE
Complex: R1P_X_2(2H4L) / Model_13(2H4L/X) = [3.9] Download674.68-3.96MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE
Complex: G16_A_2(2FKF) / Model_7(2FKF/A) = [4.1] Download1252.35-5.48MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE
Complex: M6P_X_3(1PCM) / Model_12(1PCM/X) = [4.5] Download781.19-0.91MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE
Complex: M1P_X_2(1PCJ) / Model_11(1PCJ/X) = [4.6] Download616.40-1.30MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE
Consensus
[pKd Mean = 4.16]
-799
(s=232)
-6
(s=6)
MGKYFGTDGVRGVANSELTPELAFKVGRFGGYVLTKDKQRPKVLIGRDTRISGHMLEGALVAGLLSIGAEVMRLGVISTPGVSYLTKAMDAEAGVMISASHNPVQDNGIKFFGGDGFKLSDEQEAEIERLMDEPEDKLPRPVGADLGLVNDYFEGGQKYLQFLKQTADEDFTGIHVALDCANGATSSLATHLFADLDADVSTMGTSPNGLNINDGVGSTHPEALSAFVKEKNADLGLAFDGDGDRLIAVDEKGNIVDGDQIMYICSKHLKSEGRLKDDTVVSTVMSNLGFYKALEKEGIKSVQTAVGDRYVVEAMKKDGYNVGGEQSGHLIFLDYNTTGDGLLSAIMLMNTLKATGKPLSELAAEMQKFPQLLVNVRVTDKYKVEENEKVKAVISEVEKEMNGDGRILVRPSGTEPLVRVMAEAKTKELCDEYVNRIVEVVRSEMGLE