Study : Lmo1223 (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: ADP_A_5(2Q0H) / Model_47(2Q0H/A) = [3.3] Download241.77-6.73MTYVEMKDVSKYYQMGENVVTANDKITFGIKKGEFVVIVGPSGAGKSTVLNILGGMDSASEGKIMVDGQDIAQYNAKQLTKYRRTDVGFVFQFYNLVPNLTAKENVELAAQIAPNALDAETVLTQVGLSHRLDNFPAQLSGGEQQRVAIARALAKAPKLLLCDEPTGALDYDTGKSVLKLLQETCRNTGTTVIVITHNTAITPIADRIIEINNAKVRSIKENPEPMSIDDLEW
Complex: ATP_A_6(4YMV) / Model_30(4YMV/A) = [3.5] Download432.09-1.15MTYVEMKDVSKYYQMGENVVTANDKITFGIKKGEFVVIVGPSGAGKSTVLNILGGMDSASEGKIMVDGQDIAQYNAKQLTKYRRTDVGFVFQFYNLVPNLTAKENVELAAQIAPNALDAETVLTQVGLSHRLDNFPAQLSGGEQQRVAIARALAKAPKLLLCDEPTGALDYDTGKSVLKLLQETCRNTGTTVIVITHNTAITPIADRIIEINNAKVRSIKENPEPMSIDDLEW
Complex: ADP_B_6(2OLJ) / Model_56(2OLJ/B) = [3.5] Download492.53-4.69MTYVEMKDVSKYYQMGENVVTANDKITFGIKKGEFVVIVGPSGAGKSTVLNILGGMDSASEGKIMVDGQDIAQYNAKQLTKYRRTDVGFVFQFYNLVPNLTAKENVELAAQIAPNALDAETVLTQVGLSHRLDNFPAQLSGGEQQRVAIARALAKAPKLLLCDEPTGALDYDTGKSVLKLLQETCRNTGTTVIVITHNTAITPIADRIIEINNAKVRSIKENPEPMSIDDLEW
Complex: AT4_A_5(2OLK) / Model_55(2OLK/A) = [3.8] Download1122.10-10.23MTYVEMKDVSKYYQMGENVVTANDKITFGIKKGEFVVIVGPSGAGKSTVLNILGGMDSASEGKIMVDGQDIAQYNAKQLTKYRRTDVGFVFQFYNLVPNLTAKENVELAAQIAPNALDAETVLTQVGLSHRLDNFPAQLSGGEQQRVAIARALAKAPKLLLCDEPTGALDYDTGKSVLKLLQETCRNTGTTVIVITHNTAITPIADRIIEINNAKVRSIKENPEPMSIDDLEW
Complex: ATP_J_5(4YMV) / Model_13(4YMV/J) = [3.8] Download978.572.75MTYVEMKDVSKYYQMGENVVTANDKITFGIKKGEFVVIVGPSGAGKSTVLNILGGMDSASEGKIMVDGQDIAQYNAKQLTKYRRTDVGFVFQFYNLVPNLTAKENVELAAQIAPNALDAETVLTQVGLSHRLDNFPAQLSGGEQQRVAIARALAKAPKLLLCDEPTGALDYDTGKSVLKLLQETCRNTGTTVIVITHNTAITPIADRIIEINNAKVRSIKENPEPMSIDDLEW
Consensus
[pKd Mean = 3.58]
-653
(s=337)
-4
(s=4)
MTYVEMKDVSKYYQMGENVVTANDKITFGIKKGEFVVIVGPSGAGKSTVLNILGGMDSASEGKIMVDGQDIAQYNAKQLTKYRRTDVGFVFQFYNLVPNLTAKENVELAAQIAPNALDAETVLTQVGLSHRLDNFPAQLSGGEQQRVAIARALAKAPKLLLCDEPTGALDYDTGKSVLKLLQETCRNTGTTVIVITHNTAITPIADRIIEINNAKVRSIKENPEPMSIDDLEW