Study : Lmo2476 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: BGC_B_4(1NSS) / Model_40(1NSS/B) = [3.1] Download723.4111.59VIFIEVMKERFGEFEGETVWKWTMINDHDMRMSVLNYGAIVTSLETKDKFGDFANISLGFTNLDDYLAHSPYFGATLGPVAGRITNGQFSLDGKQFQLIQNEGSNHRHGGKFNFSKKLWDVSVEKSLDQIVMTFEYCWADGENGYPGKIDAKMTYTLNNKNEWLVDYEARSNQPTIYNPSNHIYFNLSGEAGSTVLQHQLWVNSDSFLPIDEEFLPIGEKRLAENTIFDLRAGREVAEITQSQDQQVKLVGAGLDHTFILKHENGRPDAVLFDPKSGRRLEMETKADSVLIYTANSLDGSFEIDERAVPKYAGITMETQGLVDAINHEGFGDIVLRPEKPFTSRTAFRFTVES
Complex: ARB_B_4(1MMZ) / Model_25(1MMZ/B) = [3.2] Download432.8216.14VIFIEVMKERFGEFEGETVWKWTMINDHDMRMSVLNYGAIVTSLETKDKFGDFANISLGFTNLDDYLAHSPYFGATLGPVAGRITNGQFSLDGKQFQLIQNEGSNHRHGGKFNFSKKLWDVSVEKSLDQIVMTFEYCWADGENGYPGKIDAKMTYTLNNKNEWLVDYEARSNQPTIYNPSNHIYFNLSGEAGSTVLQHQLWVNSDSFLPIDEEFLPIGEKRLAENTIFDLRAGREVAEITQSQDQQVKLVGAGLDHTFILKHENGRPDAVLFDPKSGRRLEMETKADSVLIYTANSLDGSFEIDERAVPKYAGITMETQGLVDAINHEGFGDIVLRPEKPFTSRTAFRFTVES
Complex: XYS_B_4(1MN0) / Model_24(1MN0/B) = [3.3] Download402.064.60VIFIEVMKERFGEFEGETVWKWTMINDHDMRMSVLNYGAIVTSLETKDKFGDFANISLGFTNLDDYLAHSPYFGATLGPVAGRITNGQFSLDGKQFQLIQNEGSNHRHGGKFNFSKKLWDVSVEKSLDQIVMTFEYCWADGENGYPGKIDAKMTYTLNNKNEWLVDYEARSNQPTIYNPSNHIYFNLSGEAGSTVLQHQLWVNSDSFLPIDEEFLPIGEKRLAENTIFDLRAGREVAEITQSQDQQVKLVGAGLDHTFILKHENGRPDAVLFDPKSGRRLEMETKADSVLIYTANSLDGSFEIDERAVPKYAGITMETQGLVDAINHEGFGDIVLRPEKPFTSRTAFRFTVES
Complex: GLA_B_4(1NS0) / Model_31(1NS0/B) = [3.4] Download515.4216.88VIFIEVMKERFGEFEGETVWKWTMINDHDMRMSVLNYGAIVTSLETKDKFGDFANISLGFTNLDDYLAHSPYFGATLGPVAGRITNGQFSLDGKQFQLIQNEGSNHRHGGKFNFSKKLWDVSVEKSLDQIVMTFEYCWADGENGYPGKIDAKMTYTLNNKNEWLVDYEARSNQPTIYNPSNHIYFNLSGEAGSTVLQHQLWVNSDSFLPIDEEFLPIGEKRLAENTIFDLRAGREVAEITQSQDQQVKLVGAGLDHTFILKHENGRPDAVLFDPKSGRRLEMETKADSVLIYTANSLDGSFEIDERAVPKYAGITMETQGLVDAINHEGFGDIVLRPEKPFTSRTAFRFTVES
Complex: GAL_B_4(1NSX) / Model_37(1NSX/B) = [3.4] Download629.9921.28VIFIEVMKERFGEFEGETVWKWTMINDHDMRMSVLNYGAIVTSLETKDKFGDFANISLGFTNLDDYLAHSPYFGATLGPVAGRITNGQFSLDGKQFQLIQNEGSNHRHGGKFNFSKKLWDVSVEKSLDQIVMTFEYCWADGENGYPGKIDAKMTYTLNNKNEWLVDYEARSNQPTIYNPSNHIYFNLSGEAGSTVLQHQLWVNSDSFLPIDEEFLPIGEKRLAENTIFDLRAGREVAEITQSQDQQVKLVGAGLDHTFILKHENGRPDAVLFDPKSGRRLEMETKADSVLIYTANSLDGSFEIDERAVPKYAGITMETQGLVDAINHEGFGDIVLRPEKPFTSRTAFRFTVES
Consensus
[pKd Mean = 3.28]
-540
(s=120)
14
(s=5)
VIFIEVMKERFGEFEGETVWKWTMINDHDMRMSVLNYGAIVTSLETKDKFGDFANISLGFTNLDDYLAHSPYFGATLGPVAGRITNGQFSLDGKQFQLIQNEGSNHRHGGKFNFSKKLWDVSVEKSLDQIVMTFEYCWADGENGYPGKIDAKMTYTLNNKNEWLVDYEARSNQPTIYNPSNHIYFNLSGEAGSTVLQHQLWVNSDSFLPIDEEFLPIGEKRLAENTIFDLRAGREVAEITQSQDQQVKLVGAGLDHTFILKHENGRPDAVLFDPKSGRRLEMETKADSVLIYTANSLDGSFEIDERAVPKYAGITMETQGLVDAINHEGFGDIVLRPEKPFTSRTAFRFTVES