Study : Rv0192 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: IM2_A_2(4JMX) / Model_15(4JMX/A) = [3.1] Download377.3126.58MPHWAEERHRRESNYVALEAGLDEGESIRRSEHSRSGCGADAGCWRCRGGPGRGSRRSRRSRGPGGTAGPVDPPAVDLLAPPPDPLALPPALDPLAPPPPDPLAPPPPDPLAVPVAAGPVAGQDPTSFVGPPPFRPPTFNPVDGAMVGVAKPIVINFAVPIADRAMAESAIHISSIPPVPGKFYWMSPTQVRWRPFEFWPANTAVNIDAAGTKSSFRTGDSLVATADDATHQMTITRNGVVQKTFPMSMGMVSGGHQTPNGTYYVLEKFATVVMDSSTYGVPVNSAQGYKLTVSDAVRIDNSGNFVHSAPWSVADQGKRNVTHGCINLSPANAKWFYDNFGSGDPVVVKNSVGTYNKNDGAQDWQI
Complex: DWZ_A_3(4QR7) / Model_1(4QR7/A) = [3.3] Download1436.2424.18MPHWAEERHRRESNYVALEAGLDEGESIRRSEHSRSGCGADAGCWRCRGGPGRGSRRSRRSRGPGGTAGPVDPPAVDLLAPPPDPLALPPALDPLAPPPPDPLAPPPPDPLAVPVAAGPVAGQDPTSFVGPPPFRPPTFNPVDGAMVGVAKPIVINFAVPIADRAMAESAIHISSIPPVPGKFYWMSPTQVRWRPFEFWPANTAVNIDAAGTKSSFRTGDSLVATADDATHQMTITRNGVVQKTFPMSMGMVSGGHQTPNGTYYVLEKFATVVMDSSTYGVPVNSAQGYKLTVSDAVRIDNSGNFVHSAPWSVADQGKRNVTHGCINLSPANAKWFYDNFGSGDPVVVKNSVGTYNKNDGAQDWQI
Complex: MXR_B_6(3VYP) / Model_24(3VYP/B) = [3.6] Download834.0125.32MPHWAEERHRRESNYVALEAGLDEGESIRRSEHSRSGCGADAGCWRCRGGPGRGSRRSRRSRGPGGTAGPVDPPAVDLLAPPPDPLALPPALDPLAPPPPDPLAPPPPDPLAVPVAAGPVAGQDPTSFVGPPPFRPPTFNPVDGAMVGVAKPIVINFAVPIADRAMAESAIHISSIPPVPGKFYWMSPTQVRWRPFEFWPANTAVNIDAAGTKSSFRTGDSLVATADDATHQMTITRNGVVQKTFPMSMGMVSGGHQTPNGTYYVLEKFATVVMDSSTYGVPVNSAQGYKLTVSDAVRIDNSGNFVHSAPWSVADQGKRNVTHGCINLSPANAKWFYDNFGSGDPVVVKNSVGTYNKNDGAQDWQI
Complex: DWZ_B_4(4GSU) / Model_23(4GSU/B) = [3.7] Download1310.4625.16MPHWAEERHRRESNYVALEAGLDEGESIRRSEHSRSGCGADAGCWRCRGGPGRGSRRSRRSRGPGGTAGPVDPPAVDLLAPPPDPLALPPALDPLAPPPPDPLAPPPPDPLAVPVAAGPVAGQDPTSFVGPPPFRPPTFNPVDGAMVGVAKPIVINFAVPIADRAMAESAIHISSIPPVPGKFYWMSPTQVRWRPFEFWPANTAVNIDAAGTKSSFRTGDSLVATADDATHQMTITRNGVVQKTFPMSMGMVSGGHQTPNGTYYVLEKFATVVMDSSTYGVPVNSAQGYKLTVSDAVRIDNSGNFVHSAPWSVADQGKRNVTHGCINLSPANAKWFYDNFGSGDPVVVKNSVGTYNKNDGAQDWQI
Consensus
[pKd Mean = 3.42]
-989
(s=418)
25
(s=0)
MPHWAEERHRRESNYVALEAGLDEGESIRRSEHSRSGCGADAGCWRCRGGPGRGSRRSRRSRGPGGTAGPVDPPAVDLLAPPPDPLALPPALDPLAPPPPDPLAPPPPDPLAVPVAAGPVAGQDPTSFVGPPPFRPPTFNPVDGAMVGVAKPIVINFAVPIADRAMAESAIHISSIPPVPGKFYWMSPTQVRWRPFEFWPANTAVNIDAAGTKSSFRTGDSLVATADDATHQMTITRNGVVQKTFPMSMGMVSGGHQTPNGTYYVLEKFATVVMDSSTYGVPVNSAQGYKLTVSDAVRIDNSGNFVHSAPWSVADQGKRNVTHGCINLSPANAKWFYDNFGSGDPVVVKNSVGTYNKNDGAQDWQI