Study : T0684 (jlpons@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: FAD_C_3(1QGY) / Model_17(1W87/A) = [-4.1] Download--MRYKKIVLSIIASVLCLGLLNGCGHENEISIKIETYLQEEYGEEFEVLSWNQPKLLPSDNGAIYATCISKNDPKHPFEGSYFNPEEPNSEIEIIYDGYGQRLLAKQMESMIEEAISQAAENYYIQGDIIIPEEWQDIPVEEISQWKNYVDLCNQSNSDYKTLGSAWVYIDASTMKGKTDEEEYQMYEEVYRDKLGGQALLYVYYLDHKSFEKAEKILEIFTSGDEGSNFEDIIEGQPYFGTIMRYGSDKFDDNLEIFKAAKQGKEQEKYQ
Complex: FAD_A_3(1E63) / Model_17(1W87/A) = [-4.1] Download--MRYKKIVLSIIASVLCLGLLNGCGHENEISIKIETYLQEEYGEEFEVLSWNQPKLLPSDNGAIYATCISKNDPKHPFEGSYFNPEEPNSEIEIIYDGYGQRLLAKQMESMIEEAISQAAENYYIQGDIIIPEEWQDIPVEEISQWKNYVDLCNQSNSDYKTLGSAWVYIDASTMKGKTDEEEYQMYEEVYRDKLGGQALLYVYYLDHKSFEKAEKILEIFTSGDEGSNFEDIIEGQPYFGTIMRYGSDKFDDNLEIFKAAKQGKEQEKYQ
Complex: FAD_B_2(1QUF) / Model_17(1W87/A) = [-4.0] Download--MRYKKIVLSIIASVLCLGLLNGCGHENEISIKIETYLQEEYGEEFEVLSWNQPKLLPSDNGAIYATCISKNDPKHPFEGSYFNPEEPNSEIEIIYDGYGQRLLAKQMESMIEEAISQAAENYYIQGDIIIPEEWQDIPVEEISQWKNYVDLCNQSNSDYKTLGSAWVYIDASTMKGKTDEEEYQMYEEVYRDKLGGQALLYVYYLDHKSFEKAEKILEIFTSGDEGSNFEDIIEGQPYFGTIMRYGSDKFDDNLEIFKAAKQGKEQEKYQ
Complex: FAD_C_3(1QH0) / Model_17(1W87/A) = [-3.9] Download--MRYKKIVLSIIASVLCLGLLNGCGHENEISIKIETYLQEEYGEEFEVLSWNQPKLLPSDNGAIYATCISKNDPKHPFEGSYFNPEEPNSEIEIIYDGYGQRLLAKQMESMIEEAISQAAENYYIQGDIIIPEEWQDIPVEEISQWKNYVDLCNQSNSDYKTLGSAWVYIDASTMKGKTDEEEYQMYEEVYRDKLGGQALLYVYYLDHKSFEKAEKILEIFTSGDEGSNFEDIIEGQPYFGTIMRYGSDKFDDNLEIFKAAKQGKEQEKYQ
Complex: FAD_A_3(1W87) / Model_14(2BSA/A) = [-3.9] Download--MRYKKIVLSIIASVLCLGLLNGCGHENEISIKIETYLQEEYGEEFEVLSWNQPKLLPSDNGAIYATCISKNDPKHPFEGSYFNPEEPNSEIEIIYDGYGQRLLAKQMESMIEEAISQAAENYYIQGDIIIPEEWQDIPVEEISQWKNYVDLCNQSNSDYKTLGSAWVYIDASTMKGKTDEEEYQMYEEVYRDKLGGQALLYVYYLDHKSFEKAEKILEIFTSGDEGSNFEDIIEGQPYFGTIMRYGSDKFDDNLEIFKAAKQGKEQEKYQ
Consensus
[Kd Mean = -4.00]
-0
(s=0)
0
(s=0)
MRYKKIVLSIIASVLCLGLLNGCGHENEISIKIETYLQEEYGEEFEVLSWNQPKLLPSDNGAIYATCISKNDPKHPFEGSYFNPEEPNSEIEIIYDGYGQRLLAKQMESMIEEAISQAAENYYIQGDIIIPEEWQDIPVEEISQWKNYVDLCNQSNSDYKTLGSAWVYIDASTMKGKTDEEEYQMYEEVYRDKLGGQALLYVYYLDHKSFEKAEKILEIFTSGDEGSNFEDIIEGQPYFGTIMRYGSDKFDDNLEIFKAAKQGKEQEKYQ