Study : Lmo1254 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: TRS_A_2(4M8U) / Model_8(4M8U/A) = [3.1] Download346.903.11MTKFAQKTIYQVYPKSFYDTTGDGTGDIPGITAKLDYLQKLGIEMIWLNPFYPSPQNDNGYDIADYTAVDPLFGTMDDVTTLIKEAKKRNIGIMIDLVLNHTSTEHPWFKKALAGDPFYRDFYYFRPAKADGSPPTNWVSKFGGNAWEKLPDSSEYYLHLYDVTQADLDWANPNVREALFAVVNFWIDKGVEGFRLDVLNVIAKPKFLEDDFEGDGRRFYTDGPGIHAYLKELHERTFGDKPIITVGEMSSTDIDNCIRYSNPDEKELSMVFHFHHLKVDYPDGEKWRLADVNFENLKSIFHTWQVAMSDENGWDALFWNNHDQPRALGRFASDKPEHYYHSATLLGATIHFMRGTPFVYMGEEIGMMNPKFPTIDDYVDVETLNHFDILQKNGLSEQEVMEIIKERSRDNSRTPMQWDDSQNAGFTTGTPWLKVADNANEINVQTALSNKTSIFYFYQKLIALRKEHPVIQTGDYTPYLTEEDSIIAYKRSNETTSLLSIHHFGSEKKKIQLPTEFLNAEVLLSNYERQRISSELELAPYETLTLIQ
Complex: TRS_B_9(4GI6) / Model_36(4GI6/B) = [3.1] Download522.2219.09MTKFAQKTIYQVYPKSFYDTTGDGTGDIPGITAKLDYLQKLGIEMIWLNPFYPSPQNDNGYDIADYTAVDPLFGTMDDVTTLIKEAKKRNIGIMIDLVLNHTSTEHPWFKKALAGDPFYRDFYYFRPAKADGSPPTNWVSKFGGNAWEKLPDSSEYYLHLYDVTQADLDWANPNVREALFAVVNFWIDKGVEGFRLDVLNVIAKPKFLEDDFEGDGRRFYTDGPGIHAYLKELHERTFGDKPIITVGEMSSTDIDNCIRYSNPDEKELSMVFHFHHLKVDYPDGEKWRLADVNFENLKSIFHTWQVAMSDENGWDALFWNNHDQPRALGRFASDKPEHYYHSATLLGATIHFMRGTPFVYMGEEIGMMNPKFPTIDDYVDVETLNHFDILQKNGLSEQEVMEIIKERSRDNSRTPMQWDDSQNAGFTTGTPWLKVADNANEINVQTALSNKTSIFYFYQKLIALRKEHPVIQTGDYTPYLTEEDSIIAYKRSNETTSLLSIHHFGSEKKKIQLPTEFLNAEVLLSNYERQRISSELELAPYETLTLIQ
Complex: ISL_A_4(4HA1) / Model_50(4HA1/A) = [3.1] Download560.3810.57MTKFAQKTIYQVYPKSFYDTTGDGTGDIPGITAKLDYLQKLGIEMIWLNPFYPSPQNDNGYDIADYTAVDPLFGTMDDVTTLIKEAKKRNIGIMIDLVLNHTSTEHPWFKKALAGDPFYRDFYYFRPAKADGSPPTNWVSKFGGNAWEKLPDSSEYYLHLYDVTQADLDWANPNVREALFAVVNFWIDKGVEGFRLDVLNVIAKPKFLEDDFEGDGRRFYTDGPGIHAYLKELHERTFGDKPIITVGEMSSTDIDNCIRYSNPDEKELSMVFHFHHLKVDYPDGEKWRLADVNFENLKSIFHTWQVAMSDENGWDALFWNNHDQPRALGRFASDKPEHYYHSATLLGATIHFMRGTPFVYMGEEIGMMNPKFPTIDDYVDVETLNHFDILQKNGLSEQEVMEIIKERSRDNSRTPMQWDDSQNAGFTTGTPWLKVADNANEINVQTALSNKTSIFYFYQKLIALRKEHPVIQTGDYTPYLTEEDSIIAYKRSNETTSLLSIHHFGSEKKKIQLPTEFLNAEVLLSNYERQRISSELELAPYETLTLIQ
Complex: SUC_B_4(2PWE) / Model_38(2PWE/B) = [3.2] Download504.5213.42MTKFAQKTIYQVYPKSFYDTTGDGTGDIPGITAKLDYLQKLGIEMIWLNPFYPSPQNDNGYDIADYTAVDPLFGTMDDVTTLIKEAKKRNIGIMIDLVLNHTSTEHPWFKKALAGDPFYRDFYYFRPAKADGSPPTNWVSKFGGNAWEKLPDSSEYYLHLYDVTQADLDWANPNVREALFAVVNFWIDKGVEGFRLDVLNVIAKPKFLEDDFEGDGRRFYTDGPGIHAYLKELHERTFGDKPIITVGEMSSTDIDNCIRYSNPDEKELSMVFHFHHLKVDYPDGEKWRLADVNFENLKSIFHTWQVAMSDENGWDALFWNNHDQPRALGRFASDKPEHYYHSATLLGATIHFMRGTPFVYMGEEIGMMNPKFPTIDDYVDVETLNHFDILQKNGLSEQEVMEIIKERSRDNSRTPMQWDDSQNAGFTTGTPWLKVADNANEINVQTALSNKTSIFYFYQKLIALRKEHPVIQTGDYTPYLTEEDSIIAYKRSNETTSLLSIHHFGSEKKKIQLPTEFLNAEVLLSNYERQRISSELELAPYETLTLIQ
Complex: TRS_A_5(2ZIC) / Model_2(2ZIC/A) = [3.3] Download282.540.75MTKFAQKTIYQVYPKSFYDTTGDGTGDIPGITAKLDYLQKLGIEMIWLNPFYPSPQNDNGYDIADYTAVDPLFGTMDDVTTLIKEAKKRNIGIMIDLVLNHTSTEHPWFKKALAGDPFYRDFYYFRPAKADGSPPTNWVSKFGGNAWEKLPDSSEYYLHLYDVTQADLDWANPNVREALFAVVNFWIDKGVEGFRLDVLNVIAKPKFLEDDFEGDGRRFYTDGPGIHAYLKELHERTFGDKPIITVGEMSSTDIDNCIRYSNPDEKELSMVFHFHHLKVDYPDGEKWRLADVNFENLKSIFHTWQVAMSDENGWDALFWNNHDQPRALGRFASDKPEHYYHSATLLGATIHFMRGTPFVYMGEEIGMMNPKFPTIDDYVDVETLNHFDILQKNGLSEQEVMEIIKERSRDNSRTPMQWDDSQNAGFTTGTPWLKVADNANEINVQTALSNKTSIFYFYQKLIALRKEHPVIQTGDYTPYLTEEDSIIAYKRSNETTSLLSIHHFGSEKKKIQLPTEFLNAEVLLSNYERQRISSELELAPYETLTLIQ
Consensus
[pKd Mean = 3.16]
-443
(s=108)
9
(s=6)
MTKFAQKTIYQVYPKSFYDTTGDGTGDIPGITAKLDYLQKLGIEMIWLNPFYPSPQNDNGYDIADYTAVDPLFGTMDDVTTLIKEAKKRNIGIMIDLVLNHTSTEHPWFKKALAGDPFYRDFYYFRPAKADGSPPTNWVSKFGGNAWEKLPDSSEYYLHLYDVTQADLDWANPNVREALFAVVNFWIDKGVEGFRLDVLNVIAKPKFLEDDFEGDGRRFYTDGPGIHAYLKELHERTFGDKPIITVGEMSSTDIDNCIRYSNPDEKELSMVFHFHHLKVDYPDGEKWRLADVNFENLKSIFHTWQVAMSDENGWDALFWNNHDQPRALGRFASDKPEHYYHSATLLGATIHFMRGTPFVYMGEEIGMMNPKFPTIDDYVDVETLNHFDILQKNGLSEQEVMEIIKERSRDNSRTPMQWDDSQNAGFTTGTPWLKVADNANEINVQTALSNKTSIFYFYQKLIALRKEHPVIQTGDYTPYLTEEDSIIAYKRSNETTSLLSIHHFGSEKKKIQLPTEFLNAEVLLSNYERQRISSELELAPYETLTLIQ