Study : Lmo0814 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: TUI_A_8(2Z6J) / Model_1(2Z6J/A) = [6.8] Download1448.2040.13MSITNLLNIKYPIIQGAMAQIAKAPLVAAVSNAGGLGIIASGGMTADMLREEIQKTKALTDKAFGVNLMLMMTNIAELTEVIIEEKVGIVTTGAGTPKTFMPIWKEAGIIVIPVVPSVMIAKRMEKMGADAVIAEGTEAGGHVGETTTMALLPQIVDAVTIPVIGAGGIADGRGIVAALALGAKGVQIGTRFLATDECPVHPDFKAAVIKASDRDTMVTGRKAGAPVRSIKNKMIKEYIRLEEENADRDTLEELTLGSLRKAVQEGDTDNGSVMAGQIAGLITEIKPCKDVIEEMMTDAKKVIAGLELK
Complex: TUI_B_10(2Z6J) / Model_21(2Z6J/B) = [6.9] Download1967.4241.19MSITNLLNIKYPIIQGAMAQIAKAPLVAAVSNAGGLGIIASGGMTADMLREEIQKTKALTDKAFGVNLMLMMTNIAELTEVIIEEKVGIVTTGAGTPKTFMPIWKEAGIIVIPVVPSVMIAKRMEKMGADAVIAEGTEAGGHVGETTTMALLPQIVDAVTIPVIGAGGIADGRGIVAALALGAKGVQIGTRFLATDECPVHPDFKAAVIKASDRDTMVTGRKAGAPVRSIKNKMIKEYIRLEEENADRDTLEELTLGSLRKAVQEGDTDNGSVMAGQIAGLITEIKPCKDVIEEMMTDAKKVIAGLELK
Complex: FMN_A_7(2Z6J) / Model_1(2Z6J/A) = [8.9] Download920.8023.19MSITNLLNIKYPIIQGAMAQIAKAPLVAAVSNAGGLGIIASGGMTADMLREEIQKTKALTDKAFGVNLMLMMTNIAELTEVIIEEKVGIVTTGAGTPKTFMPIWKEAGIIVIPVVPSVMIAKRMEKMGADAVIAEGTEAGGHVGETTTMALLPQIVDAVTIPVIGAGGIADGRGIVAALALGAKGVQIGTRFLATDECPVHPDFKAAVIKASDRDTMVTGRKAGAPVRSIKNKMIKEYIRLEEENADRDTLEELTLGSLRKAVQEGDTDNGSVMAGQIAGLITEIKPCKDVIEEMMTDAKKVIAGLELK
Complex: FMN_B_9(2Z6J) / Model_21(2Z6J/B) = [8.9] Download854.6024.75MSITNLLNIKYPIIQGAMAQIAKAPLVAAVSNAGGLGIIASGGMTADMLREEIQKTKALTDKAFGVNLMLMMTNIAELTEVIIEEKVGIVTTGAGTPKTFMPIWKEAGIIVIPVVPSVMIAKRMEKMGADAVIAEGTEAGGHVGETTTMALLPQIVDAVTIPVIGAGGIADGRGIVAALALGAKGVQIGTRFLATDECPVHPDFKAAVIKASDRDTMVTGRKAGAPVRSIKNKMIKEYIRLEEENADRDTLEELTLGSLRKAVQEGDTDNGSVMAGQIAGLITEIKPCKDVIEEMMTDAKKVIAGLELK
Complex: FMN_B_10(4IQL) / Model_22(4IQL/B) = [9.1] Download921.5026.14MSITNLLNIKYPIIQGAMAQIAKAPLVAAVSNAGGLGIIASGGMTADMLREEIQKTKALTDKAFGVNLMLMMTNIAELTEVIIEEKVGIVTTGAGTPKTFMPIWKEAGIIVIPVVPSVMIAKRMEKMGADAVIAEGTEAGGHVGETTTMALLPQIVDAVTIPVIGAGGIADGRGIVAALALGAKGVQIGTRFLATDECPVHPDFKAAVIKASDRDTMVTGRKAGAPVRSIKNKMIKEYIRLEEENADRDTLEELTLGSLRKAVQEGDTDNGSVMAGQIAGLITEIKPCKDVIEEMMTDAKKVIAGLELK
Consensus
[pKd Mean = 8.12]
-1222
(s=429)
31
(s=7)
MSITNLLNIKYPIIQGAMAQIAKAPLVAAVSNAGGLGIIASGGMTADMLREEIQKTKALTDKAFGVNLMLMMTNIAELTEVIIEEKVGIVTTGAGTPKTFMPIWKEAGIIVIPVVPSVMIAKRMEKMGADAVIAEGTEAGGHVGETTTMALLPQIVDAVTIPVIGAGGIADGRGIVAALALGAKGVQIGTRFLATDECPVHPDFKAAVIKASDRDTMVTGRKAGAPVRSIKNKMIKEYIRLEEENADRDTLEELTLGSLRKAVQEGDTDNGSVMAGQIAGLITEIKPCKDVIEEMMTDAKKVIAGLELK