Study : Rv0215c (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: FAD_B_7(2PG0) / Model_25(2PG0/B) = [5.3] Download772.5726.04MRNELNDDEAMLVATVRAFIDRDVKPTVREVEHANSYPEAWIEQMKHIGIYGLAIDEQYGGSPVSMPCYVQVTQELARGWMSLAGAMGGHTVVAKLLTLFGTEEQRRTYLPPMASGELRATMALTEPGGGSDLQNMSTTALADGPEGSAGLLINGCKTWISNARRSGLFAVLCKTDPNATPRHQGMSIVLVEPGPGLTVSRDLPKLGYKGVESCELSFDNLRVPVSAILGGAMGQGFSQMMKGLETGRIQVAARALGVATAALEDSLAYAQQRESFGRPIWQHQAVGNYLADMATKLTAARQLTRYAAERYDSGQRCDMEAGMAKLFASEVAMEIALNAVRIHGGYGYSTEYDVERR
Complex: FAD_B_4(2Z1Q) / Model_92(2Z1Q/B) = [5.4] Download648.5522.56MRNELNDDEAMLVATVRAFIDRDVKPTVREVEHANSYPEAWIEQMKHIGIYGLAIDEQYGGSPVSMPCYVQVTQELARGWMSLAGAMGGHTVVAKLLTLFGTEEQRRTYLPPMASGELRATMALTEPGGGSDLQNMSTTALADGPEGSAGLLINGCKTWISNARRSGLFAVLCKTDPNATPRHQGMSIVLVEPGPGLTVSRDLPKLGYKGVESCELSFDNLRVPVSAILGGAMGQGFSQMMKGLETGRIQVAARALGVATAALEDSLAYAQQRESFGRPIWQHQAVGNYLADMATKLTAARQLTRYAAERYDSGQRCDMEAGMAKLFASEVAMEIALNAVRIHGGYGYSTEYDVERR
Complex: FAD_A_3(2Z1Q) / Model_93(2Z1Q/A) = [5.5] Download793.4022.75MRNELNDDEAMLVATVRAFIDRDVKPTVREVEHANSYPEAWIEQMKHIGIYGLAIDEQYGGSPVSMPCYVQVTQELARGWMSLAGAMGGHTVVAKLLTLFGTEEQRRTYLPPMASGELRATMALTEPGGGSDLQNMSTTALADGPEGSAGLLINGCKTWISNARRSGLFAVLCKTDPNATPRHQGMSIVLVEPGPGLTVSRDLPKLGYKGVESCELSFDNLRVPVSAILGGAMGQGFSQMMKGLETGRIQVAARALGVATAALEDSLAYAQQRESFGRPIWQHQAVGNYLADMATKLTAARQLTRYAAERYDSGQRCDMEAGMAKLFASEVAMEIALNAVRIHGGYGYSTEYDVERR
Complex: FAD_A_5(2PG0) / Model_3(2PG0/A) = [5.6] Download834.4324.48MRNELNDDEAMLVATVRAFIDRDVKPTVREVEHANSYPEAWIEQMKHIGIYGLAIDEQYGGSPVSMPCYVQVTQELARGWMSLAGAMGGHTVVAKLLTLFGTEEQRRTYLPPMASGELRATMALTEPGGGSDLQNMSTTALADGPEGSAGLLINGCKTWISNARRSGLFAVLCKTDPNATPRHQGMSIVLVEPGPGLTVSRDLPKLGYKGVESCELSFDNLRVPVSAILGGAMGQGFSQMMKGLETGRIQVAARALGVATAALEDSLAYAQQRESFGRPIWQHQAVGNYLADMATKLTAARQLTRYAAERYDSGQRCDMEAGMAKLFASEVAMEIALNAVRIHGGYGYSTEYDVERR
Complex: FAD_A_5(2PG0) / Model_115(2PG0/A) = [5.6] Download736.0824.48MRNELNDDEAMLVATVRAFIDRDVKPTVREVEHANSYPEAWIEQMKHIGIYGLAIDEQYGGSPVSMPCYVQVTQELARGWMSLAGAMGGHTVVAKLLTLFGTEEQRRTYLPPMASGELRATMALTEPGGGSDLQNMSTTALADGPEGSAGLLINGCKTWISNARRSGLFAVLCKTDPNATPRHQGMSIVLVEPGPGLTVSRDLPKLGYKGVESCELSFDNLRVPVSAILGGAMGQGFSQMMKGLETGRIQVAARALGVATAALEDSLAYAQQRESFGRPIWQHQAVGNYLADMATKLTAARQLTRYAAERYDSGQRCDMEAGMAKLFASEVAMEIALNAVRIHGGYGYSTEYDVERR
Consensus
[pKd Mean = 5.48]		-757
(s=62)		24
(s=1)		MRNELNDDEAMLVATVRAFIDRDVKPTVREVEHANSYPEAWIEQMKHIGIYGLAIDEQYGGSPVSMPCYVQVTQELARGWMSLAGAMGGHTVVAKLLTLFGTEEQRRTYLPPMASGELRATMALTEPGGGSDLQNMSTTALADGPEGSAGLLINGCKTWISNARRSGLFAVLCKTDPNATPRHQGMSIVLVEPGPGLTVSRDLPKLGYKGVESCELSFDNLRVPVSAILGGAMGQGFSQMMKGLETGRIQVAARALGVATAALEDSLAYAQQRESFGRPIWQHQAVGNYLADMATKLTAARQLTRYAAERYDSGQRCDMEAGMAKLFASEVAMEIALNAVRIHGGYGYSTEYDVERR