Study : jhp_0989 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: ANP_A_5(2CH4) / Model_2(2CH4/A) = [3.5] Download1732.108.12MDDLQEIMEDFLIEAFEMNEQLDQDLVELEHNPEDLDLLNRIFRVAHTIKGSSSFLNLNILTHLTHNMEDVLNRARKGEIKITPDIMDVVLRSIDLMKTLLVTIRDTGSDTNNGKENEIEEVVKKLQAITSQNLEGAKETSGTKEAPEKEVKKENKEKAKEEVKANKTPTTENLTSDNPLADEPDLDYANMSAEEVEAEIERLLNKRQEADKERRAQKKQEDQAKPKQEVAPAKETPKTETPKTETRKVPKAETKAKAKADTEENKAPSIGVEQTVRVDVRRLDHLMNLIGELVLGKNRLIRIYSDVEERYDGEKFLEELNQVVSSISAVTTDLQLAVMKTRMQPVGKVFNKFPRMVRDLSRELGKSIELIIEGEETELDKSIVEEIGDPLIHIIRNSCDHGIEPLEERRRLNKPETGKVQLSAYNEGNHIVIKISDDGKGLDPVMLKEKAIEKGVISERDAESMSDREAFNLIFKPGFSTRKVVSNVSGRGVGMDVVKTNIEKLNGIIEIDSEVGVGTTQKLKIPLTLAIIQALLVGVQEEYYAIPLSSVLETVRISQDEIYTVDGKSVLRLRDEVLSLVRLSDIFKVDAILESNSDVYVVIIGLADQKIGVIVDYLIGQEEVVIKSLGYYLKNTRGIAGATVRGDGKITLIVDVGAMMEMAKSIKVNITTLMNESENTKSKNSPSDYVVLAIDDSSTDRAIIRKCLKPLGITLLEATNGLEGLEMLKNGDKIPDAILVDIEMPKMDGYTFASEVRKYNKFKNLPLIAVTSRVTKTDRMRGVESGMTEYITKPYSGEYLTTVVKRSIKLEGDQS
Complex: ANP_A_5(2CH4) / Model_123(2CH4/A) = [3.5] Download1761.848.12MDDLQEIMEDFLIEAFEMNEQLDQDLVELEHNPEDLDLLNRIFRVAHTIKGSSSFLNLNILTHLTHNMEDVLNRARKGEIKITPDIMDVVLRSIDLMKTLLVTIRDTGSDTNNGKENEIEEVVKKLQAITSQNLEGAKETSGTKEAPEKEVKKENKEKAKEEVKANKTPTTENLTSDNPLADEPDLDYANMSAEEVEAEIERLLNKRQEADKERRAQKKQEDQAKPKQEVAPAKETPKTETPKTETRKVPKAETKAKAKADTEENKAPSIGVEQTVRVDVRRLDHLMNLIGELVLGKNRLIRIYSDVEERYDGEKFLEELNQVVSSISAVTTDLQLAVMKTRMQPVGKVFNKFPRMVRDLSRELGKSIELIIEGEETELDKSIVEEIGDPLIHIIRNSCDHGIEPLEERRRLNKPETGKVQLSAYNEGNHIVIKISDDGKGLDPVMLKEKAIEKGVISERDAESMSDREAFNLIFKPGFSTRKVVSNVSGRGVGMDVVKTNIEKLNGIIEIDSEVGVGTTQKLKIPLTLAIIQALLVGVQEEYYAIPLSSVLETVRISQDEIYTVDGKSVLRLRDEVLSLVRLSDIFKVDAILESNSDVYVVIIGLADQKIGVIVDYLIGQEEVVIKSLGYYLKNTRGIAGATVRGDGKITLIVDVGAMMEMAKSIKVNITTLMNESENTKSKNSPSDYVVLAIDDSSTDRAIIRKCLKPLGITLLEATNGLEGLEMLKNGDKIPDAILVDIEMPKMDGYTFASEVRKYNKFKNLPLIAVTSRVTKTDRMRGVESGMTEYITKPYSGEYLTTVVKRSIKLEGDQS
Complex: ADP_B_7(1I58) / Model_25(1I58/B) = [4.2] Download1245.0714.46MDDLQEIMEDFLIEAFEMNEQLDQDLVELEHNPEDLDLLNRIFRVAHTIKGSSSFLNLNILTHLTHNMEDVLNRARKGEIKITPDIMDVVLRSIDLMKTLLVTIRDTGSDTNNGKENEIEEVVKKLQAITSQNLEGAKETSGTKEAPEKEVKKENKEKAKEEVKANKTPTTENLTSDNPLADEPDLDYANMSAEEVEAEIERLLNKRQEADKERRAQKKQEDQAKPKQEVAPAKETPKTETPKTETRKVPKAETKAKAKADTEENKAPSIGVEQTVRVDVRRLDHLMNLIGELVLGKNRLIRIYSDVEERYDGEKFLEELNQVVSSISAVTTDLQLAVMKTRMQPVGKVFNKFPRMVRDLSRELGKSIELIIEGEETELDKSIVEEIGDPLIHIIRNSCDHGIEPLEERRRLNKPETGKVQLSAYNEGNHIVIKISDDGKGLDPVMLKEKAIEKGVISERDAESMSDREAFNLIFKPGFSTRKVVSNVSGRGVGMDVVKTNIEKLNGIIEIDSEVGVGTTQKLKIPLTLAIIQALLVGVQEEYYAIPLSSVLETVRISQDEIYTVDGKSVLRLRDEVLSLVRLSDIFKVDAILESNSDVYVVIIGLADQKIGVIVDYLIGQEEVVIKSLGYYLKNTRGIAGATVRGDGKITLIVDVGAMMEMAKSIKVNITTLMNESENTKSKNSPSDYVVLAIDDSSTDRAIIRKCLKPLGITLLEATNGLEGLEMLKNGDKIPDAILVDIEMPKMDGYTFASEVRKYNKFKNLPLIAVTSRVTKTDRMRGVESGMTEYITKPYSGEYLTTVVKRSIKLEGDQS
Complex: ACP_B_5(1I5A) / Model_23(1I5A/B) = [4.3] Download1281.4814.18MDDLQEIMEDFLIEAFEMNEQLDQDLVELEHNPEDLDLLNRIFRVAHTIKGSSSFLNLNILTHLTHNMEDVLNRARKGEIKITPDIMDVVLRSIDLMKTLLVTIRDTGSDTNNGKENEIEEVVKKLQAITSQNLEGAKETSGTKEAPEKEVKKENKEKAKEEVKANKTPTTENLTSDNPLADEPDLDYANMSAEEVEAEIERLLNKRQEADKERRAQKKQEDQAKPKQEVAPAKETPKTETPKTETRKVPKAETKAKAKADTEENKAPSIGVEQTVRVDVRRLDHLMNLIGELVLGKNRLIRIYSDVEERYDGEKFLEELNQVVSSISAVTTDLQLAVMKTRMQPVGKVFNKFPRMVRDLSRELGKSIELIIEGEETELDKSIVEEIGDPLIHIIRNSCDHGIEPLEERRRLNKPETGKVQLSAYNEGNHIVIKISDDGKGLDPVMLKEKAIEKGVISERDAESMSDREAFNLIFKPGFSTRKVVSNVSGRGVGMDVVKTNIEKLNGIIEIDSEVGVGTTQKLKIPLTLAIIQALLVGVQEEYYAIPLSSVLETVRISQDEIYTVDGKSVLRLRDEVLSLVRLSDIFKVDAILESNSDVYVVIIGLADQKIGVIVDYLIGQEEVVIKSLGYYLKNTRGIAGATVRGDGKITLIVDVGAMMEMAKSIKVNITTLMNESENTKSKNSPSDYVVLAIDDSSTDRAIIRKCLKPLGITLLEATNGLEGLEMLKNGDKIPDAILVDIEMPKMDGYTFASEVRKYNKFKNLPLIAVTSRVTKTDRMRGVESGMTEYITKPYSGEYLTTVVKRSIKLEGDQS
Complex: ADP_B_6(1I59) / Model_24(1I59/B) = [4.5] Download1029.0218.74MDDLQEIMEDFLIEAFEMNEQLDQDLVELEHNPEDLDLLNRIFRVAHTIKGSSSFLNLNILTHLTHNMEDVLNRARKGEIKITPDIMDVVLRSIDLMKTLLVTIRDTGSDTNNGKENEIEEVVKKLQAITSQNLEGAKETSGTKEAPEKEVKKENKEKAKEEVKANKTPTTENLTSDNPLADEPDLDYANMSAEEVEAEIERLLNKRQEADKERRAQKKQEDQAKPKQEVAPAKETPKTETPKTETRKVPKAETKAKAKADTEENKAPSIGVEQTVRVDVRRLDHLMNLIGELVLGKNRLIRIYSDVEERYDGEKFLEELNQVVSSISAVTTDLQLAVMKTRMQPVGKVFNKFPRMVRDLSRELGKSIELIIEGEETELDKSIVEEIGDPLIHIIRNSCDHGIEPLEERRRLNKPETGKVQLSAYNEGNHIVIKISDDGKGLDPVMLKEKAIEKGVISERDAESMSDREAFNLIFKPGFSTRKVVSNVSGRGVGMDVVKTNIEKLNGIIEIDSEVGVGTTQKLKIPLTLAIIQALLVGVQEEYYAIPLSSVLETVRISQDEIYTVDGKSVLRLRDEVLSLVRLSDIFKVDAILESNSDVYVVIIGLADQKIGVIVDYLIGQEEVVIKSLGYYLKNTRGIAGATVRGDGKITLIVDVGAMMEMAKSIKVNITTLMNESENTKSKNSPSDYVVLAIDDSSTDRAIIRKCLKPLGITLLEATNGLEGLEMLKNGDKIPDAILVDIEMPKMDGYTFASEVRKYNKFKNLPLIAVTSRVTKTDRMRGVESGMTEYITKPYSGEYLTTVVKRSIKLEGDQS
Consensus
[pKd Mean = 4.00]
-1409
(s=288)
12
(s=4)
MDDLQEIMEDFLIEAFEMNEQLDQDLVELEHNPEDLDLLNRIFRVAHTIKGSSSFLNLNILTHLTHNMEDVLNRARKGEIKITPDIMDVVLRSIDLMKTLLVTIRDTGSDTNNGKENEIEEVVKKLQAITSQNLEGAKETSGTKEAPEKEVKKENKEKAKEEVKANKTPTTENLTSDNPLADEPDLDYANMSAEEVEAEIERLLNKRQEADKERRAQKKQEDQAKPKQEVAPAKETPKTETPKTETRKVPKAETKAKAKADTEENKAPSIGVEQTVRVDVRRLDHLMNLIGELVLGKNRLIRIYSDVEERYDGEKFLEELNQVVSSISAVTTDLQLAVMKTRMQPVGKVFNKFPRMVRDLSRELGKSIELIIEGEETELDKSIVEEIGDPLIHIIRNSCDHGIEPLEERRRLNKPETGKVQLSAYNEGNHIVIKISDDGKGLDPVMLKEKAIEKGVISERDAESMSDREAFNLIFKPGFSTRKVVSNVSGRGVGMDVVKTNIEKLNGIIEIDSEVGVGTTQKLKIPLTLAIIQALLVGVQEEYYAIPLSSVLETVRISQDEIYTVDGKSVLRLRDEVLSLVRLSDIFKVDAILESNSDVYVVIIGLADQKIGVIVDYLIGQEEVVIKSLGYYLKNTRGIAGATVRGDGKITLIVDVGAMMEMAKSIKVNITTLMNESENTKSKNSPSDYVVLAIDDSSTDRAIIRKCLKPLGITLLEATNGLEGLEMLKNGDKIPDAILVDIEMPKMDGYTFASEVRKYNKFKNLPLIAVTSRVTKTDRMRGVESGMTEYITKPYSGEYLTTVVKRSIKLEGDQS