Study : bsu13960 (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: TLA_A_3(1VPD) / Model_41(1VPD/A) = [3.4] Download406.4029.50MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK
Complex: 6PG_A_3(2W90) / Model_20(2W90/A) = [3.4] Download761.0433.75MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK
Complex: NDP_A_6(2CVZ) / Model_54(2CVZ/A) = [7.1] Download1370.7324.86MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK
Complex: NDP_K_11(1WP4) / Model_24(1WP4/D) = [9.9] Download1902.0128.17MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK
Complex: NDP_L_12(1WP4) / Model_26(1WP4/B) = [11.7] Download1819.2627.34MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK
Consensus
[pKd Mean = 7.10]
-1251
(s=585)
28
(s=3)
MKKTIGFIGLGVMGKSMASHILNDGHPVLVYTRTKEKAESILQKGAIWKDTVKDLSKEADVIITMVGYPSDVEEVYFGSNGIIENAKEGAYLIDMTTSKPSLAKKIAEAAKEKALFALDAPVSGGDIGAQNGTLAIMVGGEKEAFEACMPIFSLMGENIQYQGPAGSGQHTKMCNQIAIAAGMIGVAEAMAYAQKSGLEPENVLKSITTGAAGSWSLSNLAPRMLQGNFEPGFYVKHFIKDMGIALEEAELMGEEMPGLSLAKSLYDKLAAQGEENSGTQSIYKLWVK