Study : bsu30210 (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: PLP_A_3(3A2B) / Model_1(3A2B/A) = [3.3] Download770.03-1.26MKIDSWLNDRLDIAKEAGVHRNLRSMNGAPVPERNIDGENQTVWSSNNYLGLASDRRLIDAAQTALQQFGTGSSGSRLTTGNSVWHEKLEKKIASFKRTEAALLFSSGYLANVGVLSSLPEKEDVILSDQLNHASIIDGCRLSKADTVVYRHIDMNDLENKLNETQRYQRRFIVTDGVFSMDGTIVPLDQIISLAKRYHAFVVVDDAHATGVLGDSGRGTSEYFGVYPDIVIGTLSKAVGTEGGFAAGSAVFIDFLLNHARTFIFQTAIPPASCAAAHEAFNIRTSLKNMGYVVKGDHTPIIPVVIGDAHKTVIFAEKLQGKGIYAPAIRPPTVAPGESRIRITITSDHSMGDIDDLLKTFHSIGKELHII
Complex: LLF_A_3(2G6W) / Model_6(2G6W/A) = [3.3] Download860.39-3.75MKIDSWLNDRLDIAKEAGVHRNLRSMNGAPVPERNIDGENQTVWSSNNYLGLASDRRLIDAAQTALQQFGTGSSGSRLTTGNSVWHEKLEKKIASFKRTEAALLFSSGYLANVGVLSSLPEKEDVILSDQLNHASIIDGCRLSKADTVVYRHIDMNDLENKLNETQRYQRRFIVTDGVFSMDGTIVPLDQIISLAKRYHAFVVVDDAHATGVLGDSGRGTSEYFGVYPDIVIGTLSKAVGTEGGFAAGSAVFIDFLLNHARTFIFQTAIPPASCAAAHEAFNIRTSLKNMGYVVKGDHTPIIPVVIGDAHKTVIFAEKLQGKGIYAPAIRPPTVAPGESRIRITITSDHSMGDIDDLLKTFHSIGKELHII
Complex: MYB_A_4(4BMK) / Model_17(4BMK/A) = [3.8] Download735.316.65MKIDSWLNDRLDIAKEAGVHRNLRSMNGAPVPERNIDGENQTVWSSNNYLGLASDRRLIDAAQTALQQFGTGSSGSRLTTGNSVWHEKLEKKIASFKRTEAALLFSSGYLANVGVLSSLPEKEDVILSDQLNHASIIDGCRLSKADTVVYRHIDMNDLENKLNETQRYQRRFIVTDGVFSMDGTIVPLDQIISLAKRYHAFVVVDDAHATGVLGDSGRGTSEYFGVYPDIVIGTLSKAVGTEGGFAAGSAVFIDFLLNHARTFIFQTAIPPASCAAAHEAFNIRTSLKNMGYVVKGDHTPIIPVVIGDAHKTVIFAEKLQGKGIYAPAIRPPTVAPGESRIRITITSDHSMGDIDDLLKTFHSIGKELHII
Complex: PLP_A_3(3TQX) / Model_2(3TQX/A) = [3.9] Download743.30-3.86MKIDSWLNDRLDIAKEAGVHRNLRSMNGAPVPERNIDGENQTVWSSNNYLGLASDRRLIDAAQTALQQFGTGSSGSRLTTGNSVWHEKLEKKIASFKRTEAALLFSSGYLANVGVLSSLPEKEDVILSDQLNHASIIDGCRLSKADTVVYRHIDMNDLENKLNETQRYQRRFIVTDGVFSMDGTIVPLDQIISLAKRYHAFVVVDDAHATGVLGDSGRGTSEYFGVYPDIVIGTLSKAVGTEGGFAAGSAVFIDFLLNHARTFIFQTAIPPASCAAAHEAFNIRTSLKNMGYVVKGDHTPIIPVVIGDAHKTVIFAEKLQGKGIYAPAIRPPTVAPGESRIRITITSDHSMGDIDDLLKTFHSIGKELHII
Complex: PMP_A_2(2XBN) / Model_11(2XBN/A) = [4.0] Download943.97-3.81MKIDSWLNDRLDIAKEAGVHRNLRSMNGAPVPERNIDGENQTVWSSNNYLGLASDRRLIDAAQTALQQFGTGSSGSRLTTGNSVWHEKLEKKIASFKRTEAALLFSSGYLANVGVLSSLPEKEDVILSDQLNHASIIDGCRLSKADTVVYRHIDMNDLENKLNETQRYQRRFIVTDGVFSMDGTIVPLDQIISLAKRYHAFVVVDDAHATGVLGDSGRGTSEYFGVYPDIVIGTLSKAVGTEGGFAAGSAVFIDFLLNHARTFIFQTAIPPASCAAAHEAFNIRTSLKNMGYVVKGDHTPIIPVVIGDAHKTVIFAEKLQGKGIYAPAIRPPTVAPGESRIRITITSDHSMGDIDDLLKTFHSIGKELHII
Consensus
[pKd Mean = 3.66]
-810
(s=80)
-1
(s=4)
MKIDSWLNDRLDIAKEAGVHRNLRSMNGAPVPERNIDGENQTVWSSNNYLGLASDRRLIDAAQTALQQFGTGSSGSRLTTGNSVWHEKLEKKIASFKRTEAALLFSSGYLANVGVLSSLPEKEDVILSDQLNHASIIDGCRLSKADTVVYRHIDMNDLENKLNETQRYQRRFIVTDGVFSMDGTIVPLDQIISLAKRYHAFVVVDDAHATGVLGDSGRGTSEYFGVYPDIVIGTLSKAVGTEGGFAAGSAVFIDFLLNHARTFIFQTAIPPASCAAAHEAFNIRTSLKNMGYVVKGDHTPIIPVVIGDAHKTVIFAEKLQGKGIYAPAIRPPTVAPGESRIRITITSDHSMGDIDDLLKTFHSIGKELHII