Study : bsu36890 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


Binding Site Number :C6_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 C6_S1
Complex: URA_D_18(1JLS) / Model_37(1JLS/D) = [3.1] Download722.5226.07MGKVYVFDHPLIQHKLTYIRNENTGTKDFRELVDEVATLMAFEITRDLPLEEVDINTPVQAAKSKVISGKKLGVVPILRAGLGMVDGILKLIPAAKVGHVGLYRDPETLKPVEYYVKLPSDVEEREFIVVDPMLATGGSAVEAIHSLKKRGAKNIRFMCLVAAPEGVEELQKHHSDVDIYIAALDEKLNEKGYIVPGLGDAGDRMFGTK
Complex: URA_A_16(1BD4) / Model_45(1BD4/A) = [3.2] Download579.2925.73MGKVYVFDHPLIQHKLTYIRNENTGTKDFRELVDEVATLMAFEITRDLPLEEVDINTPVQAAKSKVISGKKLGVVPILRAGLGMVDGILKLIPAAKVGHVGLYRDPETLKPVEYYVKLPSDVEEREFIVVDPMLATGGSAVEAIHSLKKRGAKNIRFMCLVAAPEGVEELQKHHSDVDIYIAALDEKLNEKGYIVPGLGDAGDRMFGTK
Complex: URA_A_17(1JLS) / Model_39(1JLS/A) = [3.3] Download450.2124.00MGKVYVFDHPLIQHKLTYIRNENTGTKDFRELVDEVATLMAFEITRDLPLEEVDINTPVQAAKSKVISGKKLGVVPILRAGLGMVDGILKLIPAAKVGHVGLYRDPETLKPVEYYVKLPSDVEEREFIVVDPMLATGGSAVEAIHSLKKRGAKNIRFMCLVAAPEGVEELQKHHSDVDIYIAALDEKLNEKGYIVPGLGDAGDRMFGTK
Complex: HSX_B_11(3G6W) / Model_51(3G6W/B) = [3.3] Download749.9725.07MGKVYVFDHPLIQHKLTYIRNENTGTKDFRELVDEVATLMAFEITRDLPLEEVDINTPVQAAKSKVISGKKLGVVPILRAGLGMVDGILKLIPAAKVGHVGLYRDPETLKPVEYYVKLPSDVEEREFIVVDPMLATGGSAVEAIHSLKKRGAKNIRFMCLVAAPEGVEELQKHHSDVDIYIAALDEKLNEKGYIVPGLGDAGDRMFGTK
Complex: URF_A_20(1UPF) / Model_36(1UPF/A) = [3.3] Download634.1123.72MGKVYVFDHPLIQHKLTYIRNENTGTKDFRELVDEVATLMAFEITRDLPLEEVDINTPVQAAKSKVISGKKLGVVPILRAGLGMVDGILKLIPAAKVGHVGLYRDPETLKPVEYYVKLPSDVEEREFIVVDPMLATGGSAVEAIHSLKKRGAKNIRFMCLVAAPEGVEELQKHHSDVDIYIAALDEKLNEKGYIVPGLGDAGDRMFGTK
Consensus
[pKd Mean = 3.24]
-627
(s=107)
24
(s=1)
MGKVYVFDHPLIQHKLTYIRNENTGTKDFRELVDEVATLMAFEITRDLPLEEVDINTPVQAAKSKVISGKKLGVVPILRAGLGMVDGILKLIPAAKVGHVGLYRDPETLKPVEYYVKLPSDVEEREFIVVDPMLATGGSAVEAIHSLKKRGAKNIRFMCLVAAPEGVEELQKHHSDVDIYIAALDEKLNEKGYIVPGLGDAGDRMFGTK