Study : T0733 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: NAD_A_2(3Q2I) / Model_55(3Q2I/A) = [-9.7] Download--MSARLNIGLIGSGFMGQAHADAYRRAAMFYPDLPKRPHLYALADQDQALAERHAAKLGAEKAYGDWRELVNDPQVDVVDITSPNHLHYTMAMAAIAAGKHVYCEKPLAVNEQQAQEMAQAARRAGVKTMVAFNNIKTPAALLAKQIIARGDIGEPVRFRGTFDQGFYNDPNLPWSWRCSKTLGGSGALGDLGAHTLSVAQFLLGGIREVTASAQTCLRQRPVPQRDAGYASRVAADAEWREVENDDQVQCLVNFDSGAAGVIEASRIAAGRIFGVFWEVSGTEGTLYMDGERFNELQVYRFNDDKHDRGFKTLYAGSQIPAYAGFFGFDFGGGGLGYFDVKVIEVHDLVQGICGDDDCYPNFEFGLQNQRVLSAIEASMVSRRWVNVVKD
Complex: NAD_A_2(3Q2I) / Model_2(3EZY/B) = [-7.6] Download--MSARLNIGLIGSGFMGQAHADAYRRAAMFYPDLPKRPHLYALADQDQALAERHAAKLGAEKAYGDWRELVNDPQVDVVDITSPNHLHYTMAMAAIAAGKHVYCEKPLAVNEQQAQEMAQAARRAGVKTMVAFNNIKTPAALLAKQIIARGDIGEPVRFRGTFDQGFYNDPNLPWSWRCSKTLGGSGALGDLGAHTLSVAQFLLGGIREVTASAQTCLRQRPVPQRDAGYASRVAADAEWREVENDDQVQCLVNFDSGAAGVIEASRIAAGRIFGVFWEVSGTEGTLYMDGERFNELQVYRFNDDKHDRGFKTLYAGSQIPAYAGFFGFDFGGGGLGYFDVKVIEVHDLVQGICGDDDCYPNFEFGLQNQRVLSAIEASMVSRRWVNVVKD
Complex: NAD_A_3(2IXA) / Model_55(3Q2I/A) = [-7.2] Download--MSARLNIGLIGSGFMGQAHADAYRRAAMFYPDLPKRPHLYALADQDQALAERHAAKLGAEKAYGDWRELVNDPQVDVVDITSPNHLHYTMAMAAIAAGKHVYCEKPLAVNEQQAQEMAQAARRAGVKTMVAFNNIKTPAALLAKQIIARGDIGEPVRFRGTFDQGFYNDPNLPWSWRCSKTLGGSGALGDLGAHTLSVAQFLLGGIREVTASAQTCLRQRPVPQRDAGYASRVAADAEWREVENDDQVQCLVNFDSGAAGVIEASRIAAGRIFGVFWEVSGTEGTLYMDGERFNELQVYRFNDDKHDRGFKTLYAGSQIPAYAGFFGFDFGGGGLGYFDVKVIEVHDLVQGICGDDDCYPNFEFGLQNQRVLSAIEASMVSRRWVNVVKD
Complex: NAD_A_3(3M2T) / Model_55(3Q2I/A) = [-6.7] Download--MSARLNIGLIGSGFMGQAHADAYRRAAMFYPDLPKRPHLYALADQDQALAERHAAKLGAEKAYGDWRELVNDPQVDVVDITSPNHLHYTMAMAAIAAGKHVYCEKPLAVNEQQAQEMAQAARRAGVKTMVAFNNIKTPAALLAKQIIARGDIGEPVRFRGTFDQGFYNDPNLPWSWRCSKTLGGSGALGDLGAHTLSVAQFLLGGIREVTASAQTCLRQRPVPQRDAGYASRVAADAEWREVENDDQVQCLVNFDSGAAGVIEASRIAAGRIFGVFWEVSGTEGTLYMDGERFNELQVYRFNDDKHDRGFKTLYAGSQIPAYAGFFGFDFGGGGLGYFDVKVIEVHDLVQGICGDDDCYPNFEFGLQNQRVLSAIEASMVSRRWVNVVKD
Complex: NAP_A_5(1ZH8) / Model_55(3Q2I/A) = [-6.5] Download--MSARLNIGLIGSGFMGQAHADAYRRAAMFYPDLPKRPHLYALADQDQALAERHAAKLGAEKAYGDWRELVNDPQVDVVDITSPNHLHYTMAMAAIAAGKHVYCEKPLAVNEQQAQEMAQAARRAGVKTMVAFNNIKTPAALLAKQIIARGDIGEPVRFRGTFDQGFYNDPNLPWSWRCSKTLGGSGALGDLGAHTLSVAQFLLGGIREVTASAQTCLRQRPVPQRDAGYASRVAADAEWREVENDDQVQCLVNFDSGAAGVIEASRIAAGRIFGVFWEVSGTEGTLYMDGERFNELQVYRFNDDKHDRGFKTLYAGSQIPAYAGFFGFDFGGGGLGYFDVKVIEVHDLVQGICGDDDCYPNFEFGLQNQRVLSAIEASMVSRRWVNVVKD
Consensus
[Kd Mean = -7.54]		-0
(s=0)		0
(s=0)		MSARLNIGLIGSGFMGQAHADAYRRAAMFYPDLPKRPHLYALADQDQALAERHAAKLGAEKAYGDWRELVNDPQVDVVDITSPNHLHYTMAMAAIAAGKHVYCEKPLAVNEQQAQEMAQAARRAGVKTMVAFNNIKTPAALLAKQIIARGDIGEPVRFRGTFDQGFYNDPNLPWSWRCSKTLGGSGALGDLGAHTLSVAQFLLGGIREVTASAQTCLRQRPVPQRDAGYASRVAADAEWREVENDDQVQCLVNFDSGAAGVIEASRIAAGRIFGVFWEVSGTEGTLYMDGERFNELQVYRFNDDKHDRGFKTLYAGSQIPAYAGFFGFDFGGGGLGYFDVKVIEVHDLVQGICGDDDCYPNFEFGLQNQRVLSAIEASMVSRRWVNVVKD