Study : bsu29540 (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: 5N5_A_2(3V8Q) / Model_16(3V8Q/A) = [3.3] Download716.050.92MTDQRRNVYFFHKQDQETNEQARSLTQLAEEHGFTVVNQHSDANIIASIGGDGTFLQAVRKTNFRDDCLYVGITKKGKAHLYCDFHSDEREKMVDAMTFEQIEVRKYPLIEVTVDQASPFHCLNEVSIRSSIIKTFVMDVLIDDLHFETFRGDGMIISTPTGSTAYNKSVAGAVVDPLLPCMQVSELASLNNNTYRTLGSPFVLSSDRKLTLRVVQDGNEHPIIGLDNEALSTRNVKTIEIKLSNKKIKTVKLKDNSFWEKVKRTFL
Complex: A3N_A_4(3V7Y) / Model_10(3V7Y/A) = [3.7] Download1189.3921.11MTDQRRNVYFFHKQDQETNEQARSLTQLAEEHGFTVVNQHSDANIIASIGGDGTFLQAVRKTNFRDDCLYVGITKKGKAHLYCDFHSDEREKMVDAMTFEQIEVRKYPLIEVTVDQASPFHCLNEVSIRSSIIKTFVMDVLIDDLHFETFRGDGMIISTPTGSTAYNKSVAGAVVDPLLPCMQVSELASLNNNTYRTLGSPFVLSSDRKLTLRVVQDGNEHPIIGLDNEALSTRNVKTIEIKLSNKKIKTVKLKDNSFWEKVKRTFL
Complex: ZAS_A_3(3V7W) / Model_9(3V7W/A) = [3.7] Download683.375.18MTDQRRNVYFFHKQDQETNEQARSLTQLAEEHGFTVVNQHSDANIIASIGGDGTFLQAVRKTNFRDDCLYVGITKKGKAHLYCDFHSDEREKMVDAMTFEQIEVRKYPLIEVTVDQASPFHCLNEVSIRSSIIKTFVMDVLIDDLHFETFRGDGMIISTPTGSTAYNKSVAGAVVDPLLPCMQVSELASLNNNTYRTLGSPFVLSSDRKLTLRVVQDGNEHPIIGLDNEALSTRNVKTIEIKLSNKKIKTVKLKDNSFWEKVKRTFL
Complex: Z8B_A_2(3V8M) / Model_12(3V8M/A) = [3.8] Download1261.3016.65MTDQRRNVYFFHKQDQETNEQARSLTQLAEEHGFTVVNQHSDANIIASIGGDGTFLQAVRKTNFRDDCLYVGITKKGKAHLYCDFHSDEREKMVDAMTFEQIEVRKYPLIEVTVDQASPFHCLNEVSIRSSIIKTFVMDVLIDDLHFETFRGDGMIISTPTGSTAYNKSVAGAVVDPLLPCMQVSELASLNNNTYRTLGSPFVLSSDRKLTLRVVQDGNEHPIIGLDNEALSTRNVKTIEIKLSNKKIKTVKLKDNSFWEKVKRTFL
Complex: CC5_A_3(2I2B) / Model_4(2I2B/A) = [3.9] Download1012.8521.81MTDQRRNVYFFHKQDQETNEQARSLTQLAEEHGFTVVNQHSDANIIASIGGDGTFLQAVRKTNFRDDCLYVGITKKGKAHLYCDFHSDEREKMVDAMTFEQIEVRKYPLIEVTVDQASPFHCLNEVSIRSSIIKTFVMDVLIDDLHFETFRGDGMIISTPTGSTAYNKSVAGAVVDPLLPCMQVSELASLNNNTYRTLGSPFVLSSDRKLTLRVVQDGNEHPIIGLDNEALSTRNVKTIEIKLSNKKIKTVKLKDNSFWEKVKRTFL
Consensus
[pKd Mean = 3.68]
-972
(s=237)
13
(s=8)
MTDQRRNVYFFHKQDQETNEQARSLTQLAEEHGFTVVNQHSDANIIASIGGDGTFLQAVRKTNFRDDCLYVGITKKGKAHLYCDFHSDEREKMVDAMTFEQIEVRKYPLIEVTVDQASPFHCLNEVSIRSSIIKTFVMDVLIDDLHFETFRGDGMIISTPTGSTAYNKSVAGAVVDPLLPCMQVSELASLNNNTYRTLGSPFVLSSDRKLTLRVVQDGNEHPIIGLDNEALSTRNVKTIEIKLSNKKIKTVKLKDNSFWEKVKRTFL