Study : PF00089_MCPT9_MOUSE (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: CHAIN_I_3(2RDL) / Model_18(2RDL/A) = [3.1] Download--MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
Complex: ES2_A_4(4K2Y) / Model_13(4K2Y/A) = [3.1] Download455.3128.50MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
Complex: 1NB_B_2(1BRU) / Model_52(1BRU/P) = [3.1] Download725.3417.59MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
Complex: 1P8_A_4(4K60) / Model_15(4K60/A) = [3.2] Download492.6631.76MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
Complex: TAR_A_5(4AFZ) / Model_6(4AFZ/A) = [3.3] Download752.6412.60MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE
Consensus
[pKd Mean = 3.16]
-606
(s=133)
22
(s=7)
MQALLFLMALLLPSRAGAEEIIGGVESEPHSRPYMAYVNTFSKKGYVAICGGFLIAPQFVMTAAHCSGRRMTVTLGAHNVRKRECTQQKIKVEKYILPPNYNVSSKFNDIVLLKLKKQANLTSAVDVVPLPGPSDFAKPGTMCWAAGWGRTGVKKSISHTLREVELKIVGEKACKIFRHYKDSLQICVGSSTKVASVYMGDSGGPLLCAGVAHGIVSSGRGNAKPPAIFTRISPHVPWINRVIKGE