Study : Lmo1792 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C5_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 C5_S1
Complex: EDO_A_3(3QUV) / Model_32(3QUV/A) = [3.2] Download179.9926.08MKIDILSIFPDMFSGVTGNSIIKKAIENERVAVEVTDFREYAEGKHHIVDDYPYGGGAGMLLKAQPIFDAVQAVKEKQPETKPRVILMDPAGKRFNQKMAEEFAEEEHLVFICGHYEGYDERIREHLVTDEVSIGDYILTGGEIGAMIVMDSVIRLLPGVLGNKDSAVTDSFSTGLLEHPHYTRPADFRGMKVPDILLSGNHAWIEEWRDKESLKRTYERRPDLLKNYPLTDKQKTWLKEWSDSK
Complex: EDO_A_3(3QUV) / Model_18(3QUV/A) = [3.2] Download179.0022.00MKIDILSIFPDMFSGVTGNSIIKKAIENERVAVEVTDFREYAEGKHHIVDDYPYGGGAGMLLKAQPIFDAVQAVKEKQPETKPRVILMDPAGKRFNQKMAEEFAEEEHLVFICGHYEGYDERIREHLVTDEVSIGDYILTGGEIGAMIVMDSVIRLLPGVLGNKDSAVTDSFSTGLLEHPHYTRPADFRGMKVPDILLSGNHAWIEEWRDKESLKRTYERRPDLLKNYPLTDKQKTWLKEWSDSK
Complex: SFG_B_5(4YVJ) / Model_24(4YVJ/B) = [5.4] Download882.5622.74MKIDILSIFPDMFSGVTGNSIIKKAIENERVAVEVTDFREYAEGKHHIVDDYPYGGGAGMLLKAQPIFDAVQAVKEKQPETKPRVILMDPAGKRFNQKMAEEFAEEEHLVFICGHYEGYDERIREHLVTDEVSIGDYILTGGEIGAMIVMDSVIRLLPGVLGNKDSAVTDSFSTGLLEHPHYTRPADFRGMKVPDILLSGNHAWIEEWRDKESLKRTYERRPDLLKNYPLTDKQKTWLKEWSDSK
Complex: 22L_A_2(4MCD) / Model_4(4MCD/A) = [5.5] Download456.1221.45MKIDILSIFPDMFSGVTGNSIIKKAIENERVAVEVTDFREYAEGKHHIVDDYPYGGGAGMLLKAQPIFDAVQAVKEKQPETKPRVILMDPAGKRFNQKMAEEFAEEEHLVFICGHYEGYDERIREHLVTDEVSIGDYILTGGEIGAMIVMDSVIRLLPGVLGNKDSAVTDSFSTGLLEHPHYTRPADFRGMKVPDILLSGNHAWIEEWRDKESLKRTYERRPDLLKNYPLTDKQKTWLKEWSDSK
Complex: ADN_A_2(3AXZ) / Model_5(3AXZ/A) = [5.6] Download565.3121.91MKIDILSIFPDMFSGVTGNSIIKKAIENERVAVEVTDFREYAEGKHHIVDDYPYGGGAGMLLKAQPIFDAVQAVKEKQPETKPRVILMDPAGKRFNQKMAEEFAEEEHLVFICGHYEGYDERIREHLVTDEVSIGDYILTGGEIGAMIVMDSVIRLLPGVLGNKDSAVTDSFSTGLLEHPHYTRPADFRGMKVPDILLSGNHAWIEEWRDKESLKRTYERRPDLLKNYPLTDKQKTWLKEWSDSK
Consensus
[pKd Mean = 4.58]
-452
(s=263)
22
(s=1)
MKIDILSIFPDMFSGVTGNSIIKKAIENERVAVEVTDFREYAEGKHHIVDDYPYGGGAGMLLKAQPIFDAVQAVKEKQPETKPRVILMDPAGKRFNQKMAEEFAEEEHLVFICGHYEGYDERIREHLVTDEVSIGDYILTGGEIGAMIVMDSVIRLLPGVLGNKDSAVTDSFSTGLLEHPHYTRPADFRGMKVPDILLSGNHAWIEEWRDKESLKRTYERRPDLLKNYPLTDKQKTWLKEWSDSK