Study : 070_tI_ORYSA (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: FMT_A_3(1FK5) / Model_11(1FK5/A) = [3.1] Download386.0824.75AITCGQVGSAIAPCISYVTGRSGLTQGCCNGVKGLNNAARTTADRQAACRCLKSLAGSIKSLNLGTVAGVPGKCGVNVGFPISLSTDCNKVS
Complex: DAO_E_5(2ALG) / Model_22(2ALG/A) = [3.8] Download719.2544.74AITCGQVGSAIAPCISYVTGRSGLTQGCCNGVKGLNNAARTTADRQAACRCLKSLAGSIKSLNLGTVAGVPGKCGVNVGFPISLSTDCNKVS
Complex: LPC_A_4(1BWO) / Model_26(1BWO/A) = [4.5] Download1258.2447.72AITCGQVGSAIAPCISYVTGRSGLTQGCCNGVKGLNNAARTTADRQAACRCLKSLAGSIKSLNLGTVAGVPGKCGVNVGFPISLSTDCNKVS
Complex: OLA_A_2(1FK5) / Model_11(1FK5/A) = [5.7] Download1115.4040.07AITCGQVGSAIAPCISYVTGRSGLTQGCCNGVKGLNNAARTTADRQAACRCLKSLAGSIKSLNLGTVAGVPGKCGVNVGFPISLSTDCNKVS
Complex: LPC_A_3(1BWO) / Model_26(1BWO/A) = [5.8] Download1548.3341.81AITCGQVGSAIAPCISYVTGRSGLTQGCCNGVKGLNNAARTTADRQAACRCLKSLAGSIKSLNLGTVAGVPGKCGVNVGFPISLSTDCNKVS
Consensus
[pKd Mean = 4.58]
-1005
(s=408)
39
(s=8)
AITCGQVGSAIAPCISYVTGRSGLTQGCCNGVKGLNNAARTTADRQAACRCLKSLAGSIKSLNLGTVAGVPGKCGVNVGFPISLSTDCNKVS