Study : bsu26800 (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: FMN_A_3(4QIT) / Model_3(4QIT/A) = [3.4] Download685.4034.06MNEFMKKFSLTKPIIQAPMAGGITKPRLASAVSNQGALGSLASGYLTPDLLEQQIKEIFELTDAPFQINVFVPLGLEMPPKDQIKKWKENIPLANQVNQFTSVQEEWDDFYQKIDLILKYKVKACSFTFDLPPEDAVKELKTAGCCLIGTASTVEEALLMEERGMDIVVLQGSEAGGHRGAFLPSKGESAVGLMALIPQAADALSVPVIAAGGMIDHRGVKAALTLGAQGVQIGSAFLICHESNAHPVHKQKILEANEADTKLTTLFSGKEARGIVNKWMEENEQFETQTLPYPYQNTLTKAMRQKASLQNNHDQMSLWAGQGIRSLTEEISVKQLLNQLCQEDIKI
Complex: FMN_B_5(4QIT) / Model_23(4QIT/B) = [3.5] Download656.9436.27MNEFMKKFSLTKPIIQAPMAGGITKPRLASAVSNQGALGSLASGYLTPDLLEQQIKEIFELTDAPFQINVFVPLGLEMPPKDQIKKWKENIPLANQVNQFTSVQEEWDDFYQKIDLILKYKVKACSFTFDLPPEDAVKELKTAGCCLIGTASTVEEALLMEERGMDIVVLQGSEAGGHRGAFLPSKGESAVGLMALIPQAADALSVPVIAAGGMIDHRGVKAALTLGAQGVQIGSAFLICHESNAHPVHKQKILEANEADTKLTTLFSGKEARGIVNKWMEENEQFETQTLPYPYQNTLTKAMRQKASLQNNHDQMSLWAGQGIRSLTEEISVKQLLNQLCQEDIKI
Complex: FMN_B_4(4Q4K) / Model_22(4Q4K/B) = [3.6] Download768.6437.25MNEFMKKFSLTKPIIQAPMAGGITKPRLASAVSNQGALGSLASGYLTPDLLEQQIKEIFELTDAPFQINVFVPLGLEMPPKDQIKKWKENIPLANQVNQFTSVQEEWDDFYQKIDLILKYKVKACSFTFDLPPEDAVKELKTAGCCLIGTASTVEEALLMEERGMDIVVLQGSEAGGHRGAFLPSKGESAVGLMALIPQAADALSVPVIAAGGMIDHRGVKAALTLGAQGVQIGSAFLICHESNAHPVHKQKILEANEADTKLTTLFSGKEARGIVNKWMEENEQFETQTLPYPYQNTLTKAMRQKASLQNNHDQMSLWAGQGIRSLTEEISVKQLLNQLCQEDIKI
Complex: FMN_A_3(4Q4K) / Model_2(4Q4K/A) = [3.8] Download708.8335.03MNEFMKKFSLTKPIIQAPMAGGITKPRLASAVSNQGALGSLASGYLTPDLLEQQIKEIFELTDAPFQINVFVPLGLEMPPKDQIKKWKENIPLANQVNQFTSVQEEWDDFYQKIDLILKYKVKACSFTFDLPPEDAVKELKTAGCCLIGTASTVEEALLMEERGMDIVVLQGSEAGGHRGAFLPSKGESAVGLMALIPQAADALSVPVIAAGGMIDHRGVKAALTLGAQGVQIGSAFLICHESNAHPVHKQKILEANEADTKLTTLFSGKEARGIVNKWMEENEQFETQTLPYPYQNTLTKAMRQKASLQNNHDQMSLWAGQGIRSLTEEISVKQLLNQLCQEDIKI
Complex: FMN_A_3(4QIS) / Model_1(4QIS/A) = [3.9] Download758.0935.44MNEFMKKFSLTKPIIQAPMAGGITKPRLASAVSNQGALGSLASGYLTPDLLEQQIKEIFELTDAPFQINVFVPLGLEMPPKDQIKKWKENIPLANQVNQFTSVQEEWDDFYQKIDLILKYKVKACSFTFDLPPEDAVKELKTAGCCLIGTASTVEEALLMEERGMDIVVLQGSEAGGHRGAFLPSKGESAVGLMALIPQAADALSVPVIAAGGMIDHRGVKAALTLGAQGVQIGSAFLICHESNAHPVHKQKILEANEADTKLTTLFSGKEARGIVNKWMEENEQFETQTLPYPYQNTLTKAMRQKASLQNNHDQMSLWAGQGIRSLTEEISVKQLLNQLCQEDIKI
Consensus
[pKd Mean = 3.64]
-715
(s=42)
35
(s=1)
MNEFMKKFSLTKPIIQAPMAGGITKPRLASAVSNQGALGSLASGYLTPDLLEQQIKEIFELTDAPFQINVFVPLGLEMPPKDQIKKWKENIPLANQVNQFTSVQEEWDDFYQKIDLILKYKVKACSFTFDLPPEDAVKELKTAGCCLIGTASTVEEALLMEERGMDIVVLQGSEAGGHRGAFLPSKGESAVGLMALIPQAADALSVPVIAAGGMIDHRGVKAALTLGAQGVQIGSAFLICHESNAHPVHKQKILEANEADTKLTTLFSGKEARGIVNKWMEENEQFETQTLPYPYQNTLTKAMRQKASLQNNHDQMSLWAGQGIRSLTEEISVKQLLNQLCQEDIKI