Study : gbs1751 (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: MRD_A_8(2BHB) / Model_18(2BHB/A) = [3.1] Download604.57-13.25MGFEQRLTRCQTAISQLSCDALLITNLTNIFYLTGFSGTNATVLISPKHRIFVTDSRYALIAKNTVREFDIIISREPLAAILKIIRDDALMAIGFETDISYHMYKHMVEVFEDYRLIEAPSVVEKLRMIKDATELAIIRQACRISDQAFLDVLDFIKPDRTTELQVANFLDFRMRELGATGPSFDFIVASGYRSAMPHGVASQKTIQSGEALTLDFGCYYQHYVSDMTRTIHIGHVTDQEREIYDIVLKSNQAIIDNVKSGMKRCDYDYLARQVIENSGYGNHFTHGIGHGMGLDVHEIPYFGKSEGVIASGMVVTDEPGIYLDNKYGVRIEDDLLITETGCEVLTSAPKELIVL
Complex: XPE_A_6(1WL6) / Model_15(1WL6/A) = [3.2] Download1313.82-1.62MGFEQRLTRCQTAISQLSCDALLITNLTNIFYLTGFSGTNATVLISPKHRIFVTDSRYALIAKNTVREFDIIISREPLAAILKIIRDDALMAIGFETDISYHMYKHMVEVFEDYRLIEAPSVVEKLRMIKDATELAIIRQACRISDQAFLDVLDFIKPDRTTELQVANFLDFRMRELGATGPSFDFIVASGYRSAMPHGVASQKTIQSGEALTLDFGCYYQHYVSDMTRTIHIGHVTDQEREIYDIVLKSNQAIIDNVKSGMKRCDYDYLARQVIENSGYGNHFTHGIGHGMGLDVHEIPYFGKSEGVIASGMVVTDEPGIYLDNKYGVRIEDDLLITETGCEVLTSAPKELIVL
Complex: CHAIN_B_2(2BHD) / Model_20(2BHD/A) = [3.4] Download--MGFEQRLTRCQTAISQLSCDALLITNLTNIFYLTGFSGTNATVLISPKHRIFVTDSRYALIAKNTVREFDIIISREPLAAILKIIRDDALMAIGFETDISYHMYKHMVEVFEDYRLIEAPSVVEKLRMIKDATELAIIRQACRISDQAFLDVLDFIKPDRTTELQVANFLDFRMRELGATGPSFDFIVASGYRSAMPHGVASQKTIQSGEALTLDFGCYYQHYVSDMTRTIHIGHVTDQEREIYDIVLKSNQAIIDNVKSGMKRCDYDYLARQVIENSGYGNHFTHGIGHGMGLDVHEIPYFGKSEGVIASGMVVTDEPGIYLDNKYGVRIEDDLLITETGCEVLTSAPKELIVL
Complex: CHAIN_B_2(2BHA) / Model_17(2BHA/A) = [5.3] Download--MGFEQRLTRCQTAISQLSCDALLITNLTNIFYLTGFSGTNATVLISPKHRIFVTDSRYALIAKNTVREFDIIISREPLAAILKIIRDDALMAIGFETDISYHMYKHMVEVFEDYRLIEAPSVVEKLRMIKDATELAIIRQACRISDQAFLDVLDFIKPDRTTELQVANFLDFRMRELGATGPSFDFIVASGYRSAMPHGVASQKTIQSGEALTLDFGCYYQHYVSDMTRTIHIGHVTDQEREIYDIVLKSNQAIIDNVKSGMKRCDYDYLARQVIENSGYGNHFTHGIGHGMGLDVHEIPYFGKSEGVIASGMVVTDEPGIYLDNKYGVRIEDDLLITETGCEVLTSAPKELIVL
Complex: CHAIN_B_2(1N51) / Model_14(1N51/A) = [7.0] Download--MGFEQRLTRCQTAISQLSCDALLITNLTNIFYLTGFSGTNATVLISPKHRIFVTDSRYALIAKNTVREFDIIISREPLAAILKIIRDDALMAIGFETDISYHMYKHMVEVFEDYRLIEAPSVVEKLRMIKDATELAIIRQACRISDQAFLDVLDFIKPDRTTELQVANFLDFRMRELGATGPSFDFIVASGYRSAMPHGVASQKTIQSGEALTLDFGCYYQHYVSDMTRTIHIGHVTDQEREIYDIVLKSNQAIIDNVKSGMKRCDYDYLARQVIENSGYGNHFTHGIGHGMGLDVHEIPYFGKSEGVIASGMVVTDEPGIYLDNKYGVRIEDDLLITETGCEVLTSAPKELIVL
Consensus
[pKd Mean = 4.40]
-959
(s=354)
-7
(s=5)
MGFEQRLTRCQTAISQLSCDALLITNLTNIFYLTGFSGTNATVLISPKHRIFVTDSRYALIAKNTVREFDIIISREPLAAILKIIRDDALMAIGFETDISYHMYKHMVEVFEDYRLIEAPSVVEKLRMIKDATELAIIRQACRISDQAFLDVLDFIKPDRTTELQVANFLDFRMRELGATGPSFDFIVASGYRSAMPHGVASQKTIQSGEALTLDFGCYYQHYVSDMTRTIHIGHVTDQEREIYDIVLKSNQAIIDNVKSGMKRCDYDYLARQVIENSGYGNHFTHGIGHGMGLDVHEIPYFGKSEGVIASGMVVTDEPGIYLDNKYGVRIEDDLLITETGCEVLTSAPKELIVL