Study : Lmo2537 (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: TRS_A_2(4NEQ) / Model_9(4NEQ/A) = [3.5] Download424.93-9.15LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV
Complex: UD1_A_2(4NES) / Model_10(4NES/A) = [4.9] Download1516.3911.43LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV
Complex: UD1_B_5(3BEO) / Model_20(3BEO/B) = [9.2] Download1024.4017.12LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV
Complex: UD1_A_3(3BEO) / Model_2(3BEO/A) = [9.2] Download1150.3617.94LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV
Complex: UD1_B_5(4FKZ) / Model_21(4FKZ/B) = [10.0] Download1195.9717.24LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV
Consensus
[pKd Mean = 7.36]
-1062
(s=357)
10
(s=10)
LAKIKVMSIFGTRPEAIKMAPLVLALEKEPETFESTVVITAQHREMLDQVLEIFDIKPDIDLDIMKKGQTLAEITSRVMNGINEVIAAENPDIVLVHGDTTTSFAAGLATFYQQKMLGHVEAGLRTWNKYSPFPEEMNRQLTGVMADIHFSPTKQAKENLLAEGKDPATIFVTGNTAIDALKTTVQKDYHHPILENLGDNRLILMTAHRRENLGEPMQGMFEAVREIVESREDTELVYPMHLNPAVREKAMAILGGHERIHLIEPLDAIDFHNFLRKSYLVFTDSGGVQEEAPGMGVPVLVLRDTTERPEGIEAGTLKLIGTNKENLIKEALDLLDNKESHDKMAQAANPYGDGFAANRILAAIKSHFEETDRPEDFIV