Study : Rv1261c (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: F42_N_19(3R5W) / Model_22(3R5W/N) = [8.8] Download1802.0416.69MDISRWLERHVGVQLLRLHDAIYRGTNGRIGHRIPGAPPSLLLHTTGAKTSQPRTTSLTYARDGDAYLIVASKGGDPRSPGWYHNLKANPDVEINVGPKRFGVTAKPVQPHDPDYARLWQIVNENNANRYTNYQSRTSRPIPVVVLTRR
Complex: F42_D_14(3R5W) / Model_27(3R5W/D) = [8.8] Download1951.5917.56MDISRWLERHVGVQLLRLHDAIYRGTNGRIGHRIPGAPPSLLLHTTGAKTSQPRTTSLTYARDGDAYLIVASKGGDPRSPGWYHNLKANPDVEINVGPKRFGVTAKPVQPHDPDYARLWQIVNENNANRYTNYQSRTSRPIPVVVLTRR
Complex: F42_E_15(3R5W) / Model_26(3R5W/E) = [9.1] Download2054.7018.81MDISRWLERHVGVQLLRLHDAIYRGTNGRIGHRIPGAPPSLLLHTTGAKTSQPRTTSLTYARDGDAYLIVASKGGDPRSPGWYHNLKANPDVEINVGPKRFGVTAKPVQPHDPDYARLWQIVNENNANRYTNYQSRTSRPIPVVVLTRR
Complex: F42_B_7(3R5R) / Model_33(3R5R/B) = [9.4] Download1715.2717.56MDISRWLERHVGVQLLRLHDAIYRGTNGRIGHRIPGAPPSLLLHTTGAKTSQPRTTSLTYARDGDAYLIVASKGGDPRSPGWYHNLKANPDVEINVGPKRFGVTAKPVQPHDPDYARLWQIVNENNANRYTNYQSRTSRPIPVVVLTRR
Complex: F42_M_18(3R5W) / Model_23(3R5W/M) = [9.5] Download1747.6318.29MDISRWLERHVGVQLLRLHDAIYRGTNGRIGHRIPGAPPSLLLHTTGAKTSQPRTTSLTYARDGDAYLIVASKGGDPRSPGWYHNLKANPDVEINVGPKRFGVTAKPVQPHDPDYARLWQIVNENNANRYTNYQSRTSRPIPVVVLTRR
Consensus
[pKd Mean = 9.12]
-1854
(s=128)
17
(s=1)
MDISRWLERHVGVQLLRLHDAIYRGTNGRIGHRIPGAPPSLLLHTTGAKTSQPRTTSLTYARDGDAYLIVASKGGDPRSPGWYHNLKANPDVEINVGPKRFGVTAKPVQPHDPDYARLWQIVNENNANRYTNYQSRTSRPIPVVVLTRR