Study : PA5150 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C2_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 C2_S1
Complex: GOL_A_4(4JIG) / Model_102(4JIG/A) = [3.1] Download800.248.82MAERKTLLLTGASRGIGHATVKYFNAAGWRVFTASRQSWASECPWADGEENHIHLDLEDIPGVEASLELIREKLGDGRLHALVDNAGISPKGEGGERLGVLETDYATWLRVFNVNLFSTALLARGLFAELKAAQGTVINVTSIAGSKVHPFAGVAYATSKAALSALTREMAHDFGPHGVRVNAIAPGEIDTSILSPGTEEIVERSIPLHRLGRPEEIASLIYFLCTSGASYVNGAEIHVNGGQHV
Complex: NDP_A_5(4WK6) / Model_83(4WK6/A) = [4.4] Download1526.4310.70MAERKTLLLTGASRGIGHATVKYFNAAGWRVFTASRQSWASECPWADGEENHIHLDLEDIPGVEASLELIREKLGDGRLHALVDNAGISPKGEGGERLGVLETDYATWLRVFNVNLFSTALLARGLFAELKAAQGTVINVTSIAGSKVHPFAGVAYATSKAALSALTREMAHDFGPHGVRVNAIAPGEIDTSILSPGTEEIVERSIPLHRLGRPEEIASLIYFLCTSGASYVNGAEIHVNGGQHV
Complex: NAP_A_5(3TZC) / Model_99(3TZC/A) = [4.9] Download1268.5814.62MAERKTLLLTGASRGIGHATVKYFNAAGWRVFTASRQSWASECPWADGEENHIHLDLEDIPGVEASLELIREKLGDGRLHALVDNAGISPKGEGGERLGVLETDYATWLRVFNVNLFSTALLARGLFAELKAAQGTVINVTSIAGSKVHPFAGVAYATSKAALSALTREMAHDFGPHGVRVNAIAPGEIDTSILSPGTEEIVERSIPLHRLGRPEEIASLIYFLCTSGASYVNGAEIHVNGGQHV
Complex: NDP_B_6(4WK6) / Model_82(4WK6/B) = [5.9] Download1124.416.71MAERKTLLLTGASRGIGHATVKYFNAAGWRVFTASRQSWASECPWADGEENHIHLDLEDIPGVEASLELIREKLGDGRLHALVDNAGISPKGEGGERLGVLETDYATWLRVFNVNLFSTALLARGLFAELKAAQGTVINVTSIAGSKVHPFAGVAYATSKAALSALTREMAHDFGPHGVRVNAIAPGEIDTSILSPGTEEIVERSIPLHRLGRPEEIASLIYFLCTSGASYVNGAEIHVNGGQHV
Complex: NDP_D_8(4WK6) / Model_80(4WK6/D) = [6.3] Download1109.648.31MAERKTLLLTGASRGIGHATVKYFNAAGWRVFTASRQSWASECPWADGEENHIHLDLEDIPGVEASLELIREKLGDGRLHALVDNAGISPKGEGGERLGVLETDYATWLRVFNVNLFSTALLARGLFAELKAAQGTVINVTSIAGSKVHPFAGVAYATSKAALSALTREMAHDFGPHGVRVNAIAPGEIDTSILSPGTEEIVERSIPLHRLGRPEEIASLIYFLCTSGASYVNGAEIHVNGGQHV
Consensus
[pKd Mean = 4.92]
-1165
(s=236)
9
(s=2)
MAERKTLLLTGASRGIGHATVKYFNAAGWRVFTASRQSWASECPWADGEENHIHLDLEDIPGVEASLELIREKLGDGRLHALVDNAGISPKGEGGERLGVLETDYATWLRVFNVNLFSTALLARGLFAELKAAQGTVINVTSIAGSKVHPFAGVAYATSKAALSALTREMAHDFGPHGVRVNAIAPGEIDTSILSPGTEEIVERSIPLHRLGRPEEIASLIYFLCTSGASYVNGAEIHVNGGQHV