Study : bsu32170 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: TLA_A_2(2Q9H) / Model_10(2Q9H/A) = [3.8] Download253.1339.58MNSFRFTKMHGLGNSYIYVNQFEEQLPEEKLSEIAIQVSSVYTGIGSDGMILICPSDQAPVKMRIFNNDGSEGKNCGNGLRCVAKYAYEHKLVEETSFLIETLSGLVKAEVQVENGKVNVVTVDMGEPRLTKSELPMLDGGEEHTINETMAFGEVELTGTAVSMGNPHIVFPIADIEQAPLTTLGPVIEKDPRFPEGINVEFVETVNEQELHFRVWERGSGITQACGTGACAAAVASVLNGVSKRNQDITVHLAGGDLVINWKDNGHVMMTGPAETVCEGVYFL
Complex: ZDP_A_2(2GKE) / Model_8(2GKE/A) = [4.1] Download372.06-11.04MNSFRFTKMHGLGNSYIYVNQFEEQLPEEKLSEIAIQVSSVYTGIGSDGMILICPSDQAPVKMRIFNNDGSEGKNCGNGLRCVAKYAYEHKLVEETSFLIETLSGLVKAEVQVENGKVNVVTVDMGEPRLTKSELPMLDGGEEHTINETMAFGEVELTGTAVSMGNPHIVFPIADIEQAPLTTLGPVIEKDPRFPEGINVEFVETVNEQELHFRVWERGSGITQACGTGACAAAVASVLNGVSKRNQDITVHLAGGDLVINWKDNGHVMMTGPAETVCEGVYFL
Complex: ZDR_A_2(2GKJ) / Model_9(2GKJ/A) = [4.1] Download304.38-11.32MNSFRFTKMHGLGNSYIYVNQFEEQLPEEKLSEIAIQVSSVYTGIGSDGMILICPSDQAPVKMRIFNNDGSEGKNCGNGLRCVAKYAYEHKLVEETSFLIETLSGLVKAEVQVENGKVNVVTVDMGEPRLTKSELPMLDGGEEHTINETMAFGEVELTGTAVSMGNPHIVFPIADIEQAPLTTLGPVIEKDPRFPEGINVEFVETVNEQELHFRVWERGSGITQACGTGACAAAVASVLNGVSKRNQDITVHLAGGDLVINWKDNGHVMMTGPAETVCEGVYFL
Complex: ZDP_A_2(2GKE) / Model_35(2GKE/A) = [4.1] Download329.88-11.04MNSFRFTKMHGLGNSYIYVNQFEEQLPEEKLSEIAIQVSSVYTGIGSDGMILICPSDQAPVKMRIFNNDGSEGKNCGNGLRCVAKYAYEHKLVEETSFLIETLSGLVKAEVQVENGKVNVVTVDMGEPRLTKSELPMLDGGEEHTINETMAFGEVELTGTAVSMGNPHIVFPIADIEQAPLTTLGPVIEKDPRFPEGINVEFVETVNEQELHFRVWERGSGITQACGTGACAAAVASVLNGVSKRNQDITVHLAGGDLVINWKDNGHVMMTGPAETVCEGVYFL
Consensus
[pKd Mean = 4.03]
-314
(s=43)
1
(s=21)
MNSFRFTKMHGLGNSYIYVNQFEEQLPEEKLSEIAIQVSSVYTGIGSDGMILICPSDQAPVKMRIFNNDGSEGKNCGNGLRCVAKYAYEHKLVEETSFLIETLSGLVKAEVQVENGKVNVVTVDMGEPRLTKSELPMLDGGEEHTINETMAFGEVELTGTAVSMGNPHIVFPIADIEQAPLTTLGPVIEKDPRFPEGINVEFVETVNEQELHFRVWERGSGITQACGTGACAAAVASVLNGVSKRNQDITVHLAGGDLVINWKDNGHVMMTGPAETVCEGVYFL