Study : T0702 (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_5(2I9P) / Model_42(2IZZ/A) = [-7.8] Download--MSHIHFIGSGQMSEAMIRAIIKHKTASASDITAYDIRPEREKELHDNYGITTFAKPKKNIETLQKADIVVIGVRPQDDLKAVTADIAQNAKEKALIVSIVAGVTLAQFEDLLGKERAIARIIPNTLTDTGLGYSGVVINNQADKALTEKFVSGFGKCLFLEESLIDIFTGFGVCGPNYVYYFIEALVDAGVLAGLPRDIAWETTMENLVGSVKMLEISGKHPRQLLDINNSPAGVGMNSLFALNQSDFTAGLQKSVLAAVKRTTELGQKKD
Complex: NAD_A_11(2IZZ) / Model_42(2IZZ/A) = [-6.5] Download--MSHIHFIGSGQMSEAMIRAIIKHKTASASDITAYDIRPEREKELHDNYGITTFAKPKKNIETLQKADIVVIGVRPQDDLKAVTADIAQNAKEKALIVSIVAGVTLAQFEDLLGKERAIARIIPNTLTDTGLGYSGVVINNQADKALTEKFVSGFGKCLFLEESLIDIFTGFGVCGPNYVYYFIEALVDAGVLAGLPRDIAWETTMENLVGSVKMLEISGKHPRQLLDINNSPAGVGMNSLFALNQSDFTAGLQKSVLAAVKRTTELGQKKD
Complex: NAP_A_3(3TRI) / Model_42(2IZZ/A) = [-6.2] Download--MSHIHFIGSGQMSEAMIRAIIKHKTASASDITAYDIRPEREKELHDNYGITTFAKPKKNIETLQKADIVVIGVRPQDDLKAVTADIAQNAKEKALIVSIVAGVTLAQFEDLLGKERAIARIIPNTLTDTGLGYSGVVINNQADKALTEKFVSGFGKCLFLEESLIDIFTGFGVCGPNYVYYFIEALVDAGVLAGLPRDIAWETTMENLVGSVKMLEISGKHPRQLLDINNSPAGVGMNSLFALNQSDFTAGLQKSVLAAVKRTTELGQKKD
Complex: NAD_A_5(2I9P) / Model_1(2GR9/A) = [-5.6] Download--MSHIHFIGSGQMSEAMIRAIIKHKTASASDITAYDIRPEREKELHDNYGITTFAKPKKNIETLQKADIVVIGVRPQDDLKAVTADIAQNAKEKALIVSIVAGVTLAQFEDLLGKERAIARIIPNTLTDTGLGYSGVVINNQADKALTEKFVSGFGKCLFLEESLIDIFTGFGVCGPNYVYYFIEALVDAGVLAGLPRDIAWETTMENLVGSVKMLEISGKHPRQLLDINNSPAGVGMNSLFALNQSDFTAGLQKSVLAAVKRTTELGQKKD
Complex: NAD_A_5(2I9P) / Model_3(2GRA/A) = [-5.4] Download--MSHIHFIGSGQMSEAMIRAIIKHKTASASDITAYDIRPEREKELHDNYGITTFAKPKKNIETLQKADIVVIGVRPQDDLKAVTADIAQNAKEKALIVSIVAGVTLAQFEDLLGKERAIARIIPNTLTDTGLGYSGVVINNQADKALTEKFVSGFGKCLFLEESLIDIFTGFGVCGPNYVYYFIEALVDAGVLAGLPRDIAWETTMENLVGSVKMLEISGKHPRQLLDINNSPAGVGMNSLFALNQSDFTAGLQKSVLAAVKRTTELGQKKD
Consensus
[Kd Mean = -6.30]		-0
(s=0)		0
(s=0)		MSHIHFIGSGQMSEAMIRAIIKHKTASASDITAYDIRPEREKELHDNYGITTFAKPKKNIETLQKADIVVIGVRPQDDLKAVTADIAQNAKEKALIVSIVAGVTLAQFEDLLGKERAIARIIPNTLTDTGLGYSGVVINNQADKALTEKFVSGFGKCLFLEESLIDIFTGFGVCGPNYVYYFIEALVDAGVLAGLPRDIAWETTMENLVGSVKMLEISGKHPRQLLDINNSPAGVGMNSLFALNQSDFTAGLQKSVLAAVKRTTELGQKKD