Study : jhp_1170 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_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 C4_S1
Complex: SKM_D_8(3PGJ) / Model_30(3PGJ/D) = [3.1] Download459.3032.71MKLKSFGVFGNPIKHSKSPLIHNACFLTFQKELGFLGHYHPILLPLESRIKNEFLHLGLSGANVTLPFKERAFQICDKIKGIALECASVNTLVLENDELVGYNTDALGFYLSLKHQNYQNDQNALILGAGGSAKALACGLQKQGLKVSVLNRSARGLDFFQRLGCDCFMEPPKSAFDLIINATSASLHNELPLNKEVLKGYFKESKLAYDLAYGFLTPFLSLAKELKIPFQDGKDMLIYQASLSFEKFSDSQIPYSKAFEVMRSVF
Complex: SKM_A_5(3PGJ) / Model_16(3PGJ/A) = [3.1] Download766.9132.61MKLKSFGVFGNPIKHSKSPLIHNACFLTFQKELGFLGHYHPILLPLESRIKNEFLHLGLSGANVTLPFKERAFQICDKIKGIALECASVNTLVLENDELVGYNTDALGFYLSLKHQNYQNDQNALILGAGGSAKALACGLQKQGLKVSVLNRSARGLDFFQRLGCDCFMEPPKSAFDLIINATSASLHNELPLNKEVLKGYFKESKLAYDLAYGFLTPFLSLAKELKIPFQDGKDMLIYQASLSFEKFSDSQIPYSKAFEVMRSVF
Complex: SKM_A_3(4FQ8) / Model_9(4FQ8/A) = [3.2] Download389.0334.10MKLKSFGVFGNPIKHSKSPLIHNACFLTFQKELGFLGHYHPILLPLESRIKNEFLHLGLSGANVTLPFKERAFQICDKIKGIALECASVNTLVLENDELVGYNTDALGFYLSLKHQNYQNDQNALILGAGGSAKALACGLQKQGLKVSVLNRSARGLDFFQRLGCDCFMEPPKSAFDLIINATSASLHNELPLNKEVLKGYFKESKLAYDLAYGFLTPFLSLAKELKIPFQDGKDMLIYQASLSFEKFSDSQIPYSKAFEVMRSVF
Complex: SKM_B_6(3PGJ) / Model_32(3PGJ/B) = [3.2] Download605.6936.19MKLKSFGVFGNPIKHSKSPLIHNACFLTFQKELGFLGHYHPILLPLESRIKNEFLHLGLSGANVTLPFKERAFQICDKIKGIALECASVNTLVLENDELVGYNTDALGFYLSLKHQNYQNDQNALILGAGGSAKALACGLQKQGLKVSVLNRSARGLDFFQRLGCDCFMEPPKSAFDLIINATSASLHNELPLNKEVLKGYFKESKLAYDLAYGFLTPFLSLAKELKIPFQDGKDMLIYQASLSFEKFSDSQIPYSKAFEVMRSVF
Complex: SKM_A_2(4FOS) / Model_7(4FOS/A) = [3.5] Download446.5530.00MKLKSFGVFGNPIKHSKSPLIHNACFLTFQKELGFLGHYHPILLPLESRIKNEFLHLGLSGANVTLPFKERAFQICDKIKGIALECASVNTLVLENDELVGYNTDALGFYLSLKHQNYQNDQNALILGAGGSAKALACGLQKQGLKVSVLNRSARGLDFFQRLGCDCFMEPPKSAFDLIINATSASLHNELPLNKEVLKGYFKESKLAYDLAYGFLTPFLSLAKELKIPFQDGKDMLIYQASLSFEKFSDSQIPYSKAFEVMRSVF
Consensus
[pKd Mean = 3.22]
-533
(s=136)
33
(s=2)
MKLKSFGVFGNPIKHSKSPLIHNACFLTFQKELGFLGHYHPILLPLESRIKNEFLHLGLSGANVTLPFKERAFQICDKIKGIALECASVNTLVLENDELVGYNTDALGFYLSLKHQNYQNDQNALILGAGGSAKALACGLQKQGLKVSVLNRSARGLDFFQRLGCDCFMEPPKSAFDLIINATSASLHNELPLNKEVLKGYFKESKLAYDLAYGFLTPFLSLAKELKIPFQDGKDMLIYQASLSFEKFSDSQIPYSKAFEVMRSVF