Study : Rv1262c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: ADN_A_2(3O1C) / Model_85(3O1C/A) = [4.6] Download812.6730.90MPCVFCAIIAGEAPAIRIYEDGGYLAILDIRPFTRGHTLVLPKRHTVDLTDTPPEALADMVAIGQRIARAARATKLADATHIAINDGRAAFQTVFHVHLHVLPPRNGDKLSVAKGMMLRRDPDREATGRILREALAQQDAAAQD
Complex: AMP_A_5(3O0M) / Model_67(3O0M/A) = [5.5] Download812.2421.92MPCVFCAIIAGEAPAIRIYEDGGYLAILDIRPFTRGHTLVLPKRHTVDLTDTPPEALADMVAIGQRIARAARATKLADATHIAINDGRAAFQTVFHVHLHVLPPRNGDKLSVAKGMMLRRDPDREATGRILREALAQQDAAAQD
Complex: AMP_A_5(3O0M) / Model_1(3O0M/A) = [5.5] Download701.4021.92MPCVFCAIIAGEAPAIRIYEDGGYLAILDIRPFTRGHTLVLPKRHTVDLTDTPPEALADMVAIGQRIARAARATKLADATHIAINDGRAAFQTVFHVHLHVLPPRNGDKLSVAKGMMLRRDPDREATGRILREALAQQDAAAQD
Complex: AMP_B_8(3O0M) / Model_21(3O0M/B) = [5.7] Download757.9122.87MPCVFCAIIAGEAPAIRIYEDGGYLAILDIRPFTRGHTLVLPKRHTVDLTDTPPEALADMVAIGQRIARAARATKLADATHIAINDGRAAFQTVFHVHLHVLPPRNGDKLSVAKGMMLRRDPDREATGRILREALAQQDAAAQD
Consensus
[pKd Mean = 5.33]		-771
(s=45)		24
(s=3)		MPCVFCAIIAGEAPAIRIYEDGGYLAILDIRPFTRGHTLVLPKRHTVDLTDTPPEALADMVAIGQRIARAARATKLADATHIAINDGRAAFQTVFHVHLHVLPPRNGDKLSVAKGMMLRRDPDREATGRILREALAQQDAAAQD