Study : P96762_ENTGA (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: GMP_B_5(4DTB) / Model_22(4DTB/B) = [3.9] Download782.1913.17MKQNKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVFPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGELFTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRARDQDWISEGLELLEEDKANNFGANSA
Complex: ADN_A_3(4DTA) / Model_13(4DTA/A) = [4.7] Download781.6412.29MKQNKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVFPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGELFTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRARDQDWISEGLELLEEDKANNFGANSA
Complex: ADN_A_3(4DT8) / Model_9(4DT8/A) = [4.7] Download787.9712.13MKQNKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVFPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGELFTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRARDQDWISEGLELLEEDKANNFGANSA
Complex: GMP_A_3(4DTB) / Model_3(4DTB/A) = [4.8] Download595.3518.58MKQNKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVFPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGELFTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRARDQDWISEGLELLEEDKANNFGANSA
Complex: QUE_A_4(4DFU) / Model_20(4DFU/A) = [5.3] Download907.2829.89MKQNKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVFPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGELFTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRARDQDWISEGLELLEEDKANNFGANSA
Consensus
[pKd Mean = 4.68]
-770
(s=99)
17
(s=6)
MKQNKLHYTTMIMTQFPDISIQSVESLGEGFRNYAILVNGDWVFRFPKSQQGADELNKEIQLLPLLVGCVKVNIPQYVYIGKRSDGNPFVGYRKVQGQILGEDGMAVFPDDAKDRLALQLAEFMNELSAFPVETAISAGVPVTNLKNKILLLSEAVEDQVFPLLDESLRDYLTLRFQSYMTHPVYTRYTPRLIHGDLSPDHFLTNLNSRQTPLTGIIDFGDAAISDPDYDYVYLLEDCGELFTRQVMAYRGEVDLDTHIRKVSLFVTFDQVSYLLEGLRARDQDWISEGLELLEEDKANNFGANSA