Study : jhp_1358 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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: ATP_A_7(4YMU) / Model_22(4YMU/A) = [5.4] Download1063.25-1.29MNATNNQVLIEVKDLHSAFGSTIIHRGVSFSVHKGEVMAILGGSGSGKSTLLRCMILLNRPTKGEVLLFGEDIWKLKEAEQQKIFNRCGICFQFGALYSSLTVLENVGVMLEQYGAYSKKIVEEISKMWIERVGLPPRAYHLYPYELSGGMTKRVGIARAMATNPEILFLDEPTSGLDPYSAGKFDELIMTLKESLQLTVVMITHDLDSVHDCVDRFIMLKDGLLEFNGDLKDFIKKAQTQGLDEGNLFNSTRGEKFWKGM
Complex: ATP_J_5(4YMV) / Model_4(4YMV/J) = [6.0] Download820.56-1.95MNATNNQVLIEVKDLHSAFGSTIIHRGVSFSVHKGEVMAILGGSGSGKSTLLRCMILLNRPTKGEVLLFGEDIWKLKEAEQQKIFNRCGICFQFGALYSSLTVLENVGVMLEQYGAYSKKIVEEISKMWIERVGLPPRAYHLYPYELSGGMTKRVGIARAMATNPEILFLDEPTSGLDPYSAGKFDELIMTLKESLQLTVVMITHDLDSVHDCVDRFIMLKDGLLEFNGDLKDFIKKAQTQGLDEGNLFNSTRGEKFWKGM
Complex: ATP_J_5(4YMU) / Model_3(4YMU/J) = [6.0] Download1160.164.28MNATNNQVLIEVKDLHSAFGSTIIHRGVSFSVHKGEVMAILGGSGSGKSTLLRCMILLNRPTKGEVLLFGEDIWKLKEAEQQKIFNRCGICFQFGALYSSLTVLENVGVMLEQYGAYSKKIVEEISKMWIERVGLPPRAYHLYPYELSGGMTKRVGIARAMATNPEILFLDEPTSGLDPYSAGKFDELIMTLKESLQLTVVMITHDLDSVHDCVDRFIMLKDGLLEFNGDLKDFIKKAQTQGLDEGNLFNSTRGEKFWKGM
Complex: ADP_A_3(3TIF) / Model_49(3TIF/A) = [6.0] Download1106.15-3.94MNATNNQVLIEVKDLHSAFGSTIIHRGVSFSVHKGEVMAILGGSGSGKSTLLRCMILLNRPTKGEVLLFGEDIWKLKEAEQQKIFNRCGICFQFGALYSSLTVLENVGVMLEQYGAYSKKIVEEISKMWIERVGLPPRAYHLYPYELSGGMTKRVGIARAMATNPEILFLDEPTSGLDPYSAGKFDELIMTLKESLQLTVVMITHDLDSVHDCVDRFIMLKDGLLEFNGDLKDFIKKAQTQGLDEGNLFNSTRGEKFWKGM
Complex: ADP_B_8(3TIF) / Model_48(3TIF/B) = [6.2] Download1117.02-3.94MNATNNQVLIEVKDLHSAFGSTIIHRGVSFSVHKGEVMAILGGSGSGKSTLLRCMILLNRPTKGEVLLFGEDIWKLKEAEQQKIFNRCGICFQFGALYSSLTVLENVGVMLEQYGAYSKKIVEEISKMWIERVGLPPRAYHLYPYELSGGMTKRVGIARAMATNPEILFLDEPTSGLDPYSAGKFDELIMTLKESLQLTVVMITHDLDSVHDCVDRFIMLKDGLLEFNGDLKDFIKKAQTQGLDEGNLFNSTRGEKFWKGM
Consensus
[pKd Mean = 5.92]
-1053
(s=120)
-1
(s=3)
MNATNNQVLIEVKDLHSAFGSTIIHRGVSFSVHKGEVMAILGGSGSGKSTLLRCMILLNRPTKGEVLLFGEDIWKLKEAEQQKIFNRCGICFQFGALYSSLTVLENVGVMLEQYGAYSKKIVEEISKMWIERVGLPPRAYHLYPYELSGGMTKRVGIARAMATNPEILFLDEPTSGLDPYSAGKFDELIMTLKESLQLTVVMITHDLDSVHDCVDRFIMLKDGLLEFNGDLKDFIKKAQTQGLDEGNLFNSTRGEKFWKGM