Study : jhp_1390 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: PML_A_3(4DJJ) / Model_18(4DJJ/A) = [3.1] Download480.034.80MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYLCVYKDFILLKPQTYMNLSGESVLSAKNFYKTKELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALCSNSYYRLRVGISKGINITEHVLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES
Complex: 0L1_B_4(4DHW) / Model_28(4DHW/B) = [3.1] Download483.159.53MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYLCVYKDFILLKPQTYMNLSGESVLSAKNFYKTKELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALCSNSYYRLRVGISKGINITEHVLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES
Complex: PML_B_4(4DJJ) / Model_27(4DJJ/B) = [3.4] Download525.584.80MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYLCVYKDFILLKPQTYMNLSGESVLSAKNFYKTKELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALCSNSYYRLRVGISKGINITEHVLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES
Complex: CTN_A_2(4JWK) / Model_8(4JWK/A) = [3.5] Download805.1027.07MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYLCVYKDFILLKPQTYMNLSGESVLSAKNFYKTKELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALCSNSYYRLRVGISKGINITEHVLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES
Complex: 5AE_A_2(4QD3) / Model_22(4QD3/A) = [3.8] Download508.6910.76MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYLCVYKDFILLKPQTYMNLSGESVLSAKNFYKTKELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALCSNSYYRLRVGISKGINITEHVLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES
Consensus
[pKd Mean = 3.38]
-560
(s=123)
11
(s=8)
MTLLVGLGNPTLRYDHTRHNAGFDILDSLVSELDLSFIFSPKHNAYLCVYKDFILLKPQTYMNLSGESVLSAKNFYKTKELLIVHDDLDLPLGVVKFKKGGGNGGHNGLKSIDALCSNSYYRLRVGISKGINITEHVLSKFHNNEEPLKNAAFEHAKNALKFFIESHDFNATQNRFTLKKPLQIES