Study : bsu10320 (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] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: NAP_A_3(3NX4) / Model_46(3NX4/A) = [10.7] Download1495.3820.24MSTLFQALQAEKNADDVSVHVKTISTEDLPKDGVLIKVAYSGINYKDGLAGKAGGNIVREYPLILGIDAAGTVVSSNDPRFAEGDEVIATSYELGVSRDGGLSEYASVPGDWLVPLPQNLSLKEAMVYGTAGFTAALSVHRLEQNGLSPEKGSVLVTGATGGVGGIAVSMLNKRGYDVVASTGNREAADYLKQLGASEVISREDVYDGTLKALSKQQWQGAVDPVGGKQLASLLSKIQYGGSVAVSGLTGGGEVPATVYPFILRGVSLLGIDSVYCPMDVRAAVWERMSSDLKPDQLLTIVDREVSLEETPGALKDILQNRIQGRVIVKL
Complex: NDP_D_8(1O8C) / Model_26(1O8C/D) = [10.9] Download1229.4720.66MSTLFQALQAEKNADDVSVHVKTISTEDLPKDGVLIKVAYSGINYKDGLAGKAGGNIVREYPLILGIDAAGTVVSSNDPRFAEGDEVIATSYELGVSRDGGLSEYASVPGDWLVPLPQNLSLKEAMVYGTAGFTAALSVHRLEQNGLSPEKGSVLVTGATGGVGGIAVSMLNKRGYDVVASTGNREAADYLKQLGASEVISREDVYDGTLKALSKQQWQGAVDPVGGKQLASLLSKIQYGGSVAVSGLTGGGEVPATVYPFILRGVSLLGIDSVYCPMDVRAAVWERMSSDLKPDQLLTIVDREVSLEETPGALKDILQNRIQGRVIVKL
Complex: NDP_C_7(1O8C) / Model_27(1O8C/C) = [11.2] Download1210.6120.66MSTLFQALQAEKNADDVSVHVKTISTEDLPKDGVLIKVAYSGINYKDGLAGKAGGNIVREYPLILGIDAAGTVVSSNDPRFAEGDEVIATSYELGVSRDGGLSEYASVPGDWLVPLPQNLSLKEAMVYGTAGFTAALSVHRLEQNGLSPEKGSVLVTGATGGVGGIAVSMLNKRGYDVVASTGNREAADYLKQLGASEVISREDVYDGTLKALSKQQWQGAVDPVGGKQLASLLSKIQYGGSVAVSGLTGGGEVPATVYPFILRGVSLLGIDSVYCPMDVRAAVWERMSSDLKPDQLLTIVDREVSLEETPGALKDILQNRIQGRVIVKL
Complex: NDP_B_6(1O8C) / Model_28(1O8C/B) = [11.3] Download1638.2321.98MSTLFQALQAEKNADDVSVHVKTISTEDLPKDGVLIKVAYSGINYKDGLAGKAGGNIVREYPLILGIDAAGTVVSSNDPRFAEGDEVIATSYELGVSRDGGLSEYASVPGDWLVPLPQNLSLKEAMVYGTAGFTAALSVHRLEQNGLSPEKGSVLVTGATGGVGGIAVSMLNKRGYDVVASTGNREAADYLKQLGASEVISREDVYDGTLKALSKQQWQGAVDPVGGKQLASLLSKIQYGGSVAVSGLTGGGEVPATVYPFILRGVSLLGIDSVYCPMDVRAAVWERMSSDLKPDQLLTIVDREVSLEETPGALKDILQNRIQGRVIVKL
Consensus
[pKd Mean = 11.02]
-1393
(s=180)
20
(s=1)
MSTLFQALQAEKNADDVSVHVKTISTEDLPKDGVLIKVAYSGINYKDGLAGKAGGNIVREYPLILGIDAAGTVVSSNDPRFAEGDEVIATSYELGVSRDGGLSEYASVPGDWLVPLPQNLSLKEAMVYGTAGFTAALSVHRLEQNGLSPEKGSVLVTGATGGVGGIAVSMLNKRGYDVVASTGNREAADYLKQLGASEVISREDVYDGTLKALSKQQWQGAVDPVGGKQLASLLSKIQYGGSVAVSGLTGGGEVPATVYPFILRGVSLLGIDSVYCPMDVRAAVWERMSSDLKPDQLLTIVDREVSLEETPGALKDILQNRIQGRVIVKL