Study : jhp_0653 (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: ADP_A_3(4P32) / Model_3(4P32/A) = [5.4] Download1032.7915.80MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIGLNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
Complex: ADP_A_3(4P31) / Model_5(4P31/A) = [5.7] Download1450.6329.56MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIGLNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
Complex: ADP_B_5(4P32) / Model_23(4P32/B) = [5.9] Download1291.5115.31MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIGLNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
Complex: ATP_A_3(4QC2) / Model_2(4QC2/A) = [6.1] Download1528.7012.61MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIGLNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
Complex: ATP_B_5(4QC2) / Model_22(4QC2/B) = [6.4] Download1239.0112.61MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIGLNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV
Consensus
[pKd Mean = 5.90]
-1308
(s=173)
17
(s=6)
MDILKAEHLNKQIKKTKIVSDVSLEVKSGEVVGLLGPNGAGKTTTFYMICGLLEPSGGSVYLNDVDLAKYPLHKRSNLGIGYLPQESSIFKELSVEENLALAGESTFKNSKESEEKMESLLDAFNIQAIRERKGMSLSGGERRRVEIARALMKNPKFVLLDEPFAGVDPIAVIDIQRIIESLIGLNIGVLITDHNVRETLSVCHRAYVIKSGTLLASGNANEIYENALVRKYYLGENFKV