Study : B0D1J7_LACBS (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ATP_A_8(3ATT) / Model_51(3ATT/A) = [3.9] Download1452.7622.17MVRRLVPFNLYAKKGRFVMASEALATQYVSENTTIPVPRVLDVIALPSGKGKFLLMTGVKGKEYGPTGVTLYKMAENQRAVFTETLRGWFDQLRCLRPPDDHTISGFMVTGVSSYIIRHPETVDPFASQDEFHAQRFCQPWEPYDDALRAALEKRAKMRYKICFTHGDITPHNILVDDNLRPCALVDWECAGWMPEYWEYTRALYIRERYLGWKKVFTDIFPNYEAELTIYGSIITHDMPWYYSLNVVS
Complex: ADP_A_4(1L8T) / Model_67(1L8T/A) = [4.1] Download936.2320.00MVRRLVPFNLYAKKGRFVMASEALATQYVSENTTIPVPRVLDVIALPSGKGKFLLMTGVKGKEYGPTGVTLYKMAENQRAVFTETLRGWFDQLRCLRPPDDHTISGFMVTGVSSYIIRHPETVDPFASQDEFHAQRFCQPWEPYDDALRAALEKRAKMRYKICFTHGDITPHNILVDDNLRPCALVDWECAGWMPEYWEYTRALYIRERYLGWKKVFTDIFPNYEAELTIYGSIITHDMPWYYSLNVVS
Complex: ANP_A_2(3TM0) / Model_68(3TM0/A) = [4.1] Download1445.1123.86MVRRLVPFNLYAKKGRFVMASEALATQYVSENTTIPVPRVLDVIALPSGKGKFLLMTGVKGKEYGPTGVTLYKMAENQRAVFTETLRGWFDQLRCLRPPDDHTISGFMVTGVSSYIIRHPETVDPFASQDEFHAQRFCQPWEPYDDALRAALEKRAKMRYKICFTHGDITPHNILVDDNLRPCALVDWECAGWMPEYWEYTRALYIRERYLGWKKVFTDIFPNYEAELTIYGSIITHDMPWYYSLNVVS
Complex: GNP_C_13(5IQI) / Model_55(5IQI/C) = [4.4] Download1494.8521.38MVRRLVPFNLYAKKGRFVMASEALATQYVSENTTIPVPRVLDVIALPSGKGKFLLMTGVKGKEYGPTGVTLYKMAENQRAVFTETLRGWFDQLRCLRPPDDHTISGFMVTGVSSYIIRHPETVDPFASQDEFHAQRFCQPWEPYDDALRAALEKRAKMRYKICFTHGDITPHNILVDDNLRPCALVDWECAGWMPEYWEYTRALYIRERYLGWKKVFTDIFPNYEAELTIYGSIITHDMPWYYSLNVVS
Consensus
[pKd Mean = 4.12]
-1332
(s=229)
21
(s=1)
MVRRLVPFNLYAKKGRFVMASEALATQYVSENTTIPVPRVLDVIALPSGKGKFLLMTGVKGKEYGPTGVTLYKMAENQRAVFTETLRGWFDQLRCLRPPDDHTISGFMVTGVSSYIIRHPETVDPFASQDEFHAQRFCQPWEPYDDALRAALEKRAKMRYKICFTHGDITPHNILVDDNLRPCALVDWECAGWMPEYWEYTRALYIRERYLGWKKVFTDIFPNYEAELTIYGSIITHDMPWYYSLNVVS