Study : Wbm0154 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ANP_A_3(1JCG) / Model_4(1JCG/A) = [7.1] Download1156.1011.97MNFFQKLTGKFCNFFTFKGLFASDIAIDLGTANTLVYQKNQGIVLDEPSVVARIKEKGSYIPYAFGKKAKMMLGKTPGEIEAIRPLKDGVIADFKSAEEMLKYFIRSANTKLTVNKPNIIICVPSGSTPVERRAIQDAAESAGANEVFLIEEPMAAAIGAGLPVTEPEGSMVVDIGGGTTEVAIISLGGIVYSRSARVGGDIMDEAIRSYIRENHKLLIGETTAEKIKKSLGSASLPDENNKEWMMVKGRDLVSGMPKEMLLSEYQVAESLIEPVHQIISAIKTALESTPPELSSDIVDKGIVLSGGGGLLRNLGKVISETTKLPVHVADDPLCCVALGSGKVLENMDYFSHVLFKQD
Complex: ADP_A_3(4CZL) / Model_2(4CZL/A) = [7.5] Download1164.2112.00MNFFQKLTGKFCNFFTFKGLFASDIAIDLGTANTLVYQKNQGIVLDEPSVVARIKEKGSYIPYAFGKKAKMMLGKTPGEIEAIRPLKDGVIADFKSAEEMLKYFIRSANTKLTVNKPNIIICVPSGSTPVERRAIQDAAESAGANEVFLIEEPMAAAIGAGLPVTEPEGSMVVDIGGGTTEVAIISLGGIVYSRSARVGGDIMDEAIRSYIRENHKLLIGETTAEKIKKSLGSASLPDENNKEWMMVKGRDLVSGMPKEMLLSEYQVAESLIEPVHQIISAIKTALESTPPELSSDIVDKGIVLSGGGGLLRNLGKVISETTKLPVHVADDPLCCVALGSGKVLENMDYFSHVLFKQD
Complex: ANP_B_6(4CZJ) / Model_21(4CZJ/B) = [8.7] Download798.0711.70MNFFQKLTGKFCNFFTFKGLFASDIAIDLGTANTLVYQKNQGIVLDEPSVVARIKEKGSYIPYAFGKKAKMMLGKTPGEIEAIRPLKDGVIADFKSAEEMLKYFIRSANTKLTVNKPNIIICVPSGSTPVERRAIQDAAESAGANEVFLIEEPMAAAIGAGLPVTEPEGSMVVDIGGGTTEVAIISLGGIVYSRSARVGGDIMDEAIRSYIRENHKLLIGETTAEKIKKSLGSASLPDENNKEWMMVKGRDLVSGMPKEMLLSEYQVAESLIEPVHQIISAIKTALESTPPELSSDIVDKGIVLSGGGGLLRNLGKVISETTKLPVHVADDPLCCVALGSGKVLENMDYFSHVLFKQD
Consensus
[pKd Mean = 7.77]
-1039
(s=170)
11
(s=0)
MNFFQKLTGKFCNFFTFKGLFASDIAIDLGTANTLVYQKNQGIVLDEPSVVARIKEKGSYIPYAFGKKAKMMLGKTPGEIEAIRPLKDGVIADFKSAEEMLKYFIRSANTKLTVNKPNIIICVPSGSTPVERRAIQDAAESAGANEVFLIEEPMAAAIGAGLPVTEPEGSMVVDIGGGTTEVAIISLGGIVYSRSARVGGDIMDEAIRSYIRENHKLLIGETTAEKIKKSLGSASLPDENNKEWMMVKGRDLVSGMPKEMLLSEYQVAESLIEPVHQIISAIKTALESTPPELSSDIVDKGIVLSGGGGLLRNLGKVISETTKLPVHVADDPLCCVALGSGKVLENMDYFSHVLFKQD