Study : bsu24340 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: L22_B_5(2W70) / Model_33(2W70/B) = [3.3] Download552.3320.62MIKKLLIANRGEIAVRIIRACRELGIETVAVYSEADKDALHVQMADEAFCIGPKASKDSYLNVTNIVSVAKLTGTDAIHPGYGFLAENADFAELCEEVNVTFVGPSADAISKMGTKDVARETMKQAGVPIVPGSQGIIENVEEAVSLANEIGYPVIIKATAGGGGKGIRVARTEEELINGIKITQQEAATAFGNPGVYIEKYIEDFRHVEIQVLADNYGNTIHLGERDCSIQRRLQKLLEESPSPALDSEIREQMGDAAVKAAKAVGYTGAGTVEFIYDYNEQRYYFMEMNTRIQVEHPVTEMVTGTDLIKEQIKVASGMELSLKQEDVEFEGWAIECRINAENPSKNFMPSPGEIKMYLPPGGLGVRVDSAAYPGYSIPPYYDSMIAKVITYGKTRDEAIARMKRALSEFVIEGIETTIPFHLKLLEHETFVSGEFNTKFLETYDVMGS
Complex: OA4_A_3(2W6P) / Model_39(2W6P/A) = [3.3] Download739.828.72MIKKLLIANRGEIAVRIIRACRELGIETVAVYSEADKDALHVQMADEAFCIGPKASKDSYLNVTNIVSVAKLTGTDAIHPGYGFLAENADFAELCEEVNVTFVGPSADAISKMGTKDVARETMKQAGVPIVPGSQGIIENVEEAVSLANEIGYPVIIKATAGGGGKGIRVARTEEELINGIKITQQEAATAFGNPGVYIEKYIEDFRHVEIQVLADNYGNTIHLGERDCSIQRRLQKLLEESPSPALDSEIREQMGDAAVKAAKAVGYTGAGTVEFIYDYNEQRYYFMEMNTRIQVEHPVTEMVTGTDLIKEQIKVASGMELSLKQEDVEFEGWAIECRINAENPSKNFMPSPGEIKMYLPPGGLGVRVDSAAYPGYSIPPYYDSMIAKVITYGKTRDEAIARMKRALSEFVIEGIETTIPFHLKLLEHETFVSGEFNTKFLETYDVMGS
Complex: L22_A_3(2W70) / Model_34(2W70/A) = [3.4] Download446.6418.90MIKKLLIANRGEIAVRIIRACRELGIETVAVYSEADKDALHVQMADEAFCIGPKASKDSYLNVTNIVSVAKLTGTDAIHPGYGFLAENADFAELCEEVNVTFVGPSADAISKMGTKDVARETMKQAGVPIVPGSQGIIENVEEAVSLANEIGYPVIIKATAGGGGKGIRVARTEEELINGIKITQQEAATAFGNPGVYIEKYIEDFRHVEIQVLADNYGNTIHLGERDCSIQRRLQKLLEESPSPALDSEIREQMGDAAVKAAKAVGYTGAGTVEFIYDYNEQRYYFMEMNTRIQVEHPVTEMVTGTDLIKEQIKVASGMELSLKQEDVEFEGWAIECRINAENPSKNFMPSPGEIKMYLPPGGLGVRVDSAAYPGYSIPPYYDSMIAKVITYGKTRDEAIARMKRALSEFVIEGIETTIPFHLKLLEHETFVSGEFNTKFLETYDVMGS
Complex: ADP_A_3(4RZQ) / Model_9(4RZQ/A) = [3.5] Download1593.6019.04MIKKLLIANRGEIAVRIIRACRELGIETVAVYSEADKDALHVQMADEAFCIGPKASKDSYLNVTNIVSVAKLTGTDAIHPGYGFLAENADFAELCEEVNVTFVGPSADAISKMGTKDVARETMKQAGVPIVPGSQGIIENVEEAVSLANEIGYPVIIKATAGGGGKGIRVARTEEELINGIKITQQEAATAFGNPGVYIEKYIEDFRHVEIQVLADNYGNTIHLGERDCSIQRRLQKLLEESPSPALDSEIREQMGDAAVKAAKAVGYTGAGTVEFIYDYNEQRYYFMEMNTRIQVEHPVTEMVTGTDLIKEQIKVASGMELSLKQEDVEFEGWAIECRINAENPSKNFMPSPGEIKMYLPPGGLGVRVDSAAYPGYSIPPYYDSMIAKVITYGKTRDEAIARMKRALSEFVIEGIETTIPFHLKLLEHETFVSGEFNTKFLETYDVMGS
Complex: OA3_A_3(2W6O) / Model_41(2W6O/A) = [3.5] Download637.5217.32MIKKLLIANRGEIAVRIIRACRELGIETVAVYSEADKDALHVQMADEAFCIGPKASKDSYLNVTNIVSVAKLTGTDAIHPGYGFLAENADFAELCEEVNVTFVGPSADAISKMGTKDVARETMKQAGVPIVPGSQGIIENVEEAVSLANEIGYPVIIKATAGGGGKGIRVARTEEELINGIKITQQEAATAFGNPGVYIEKYIEDFRHVEIQVLADNYGNTIHLGERDCSIQRRLQKLLEESPSPALDSEIREQMGDAAVKAAKAVGYTGAGTVEFIYDYNEQRYYFMEMNTRIQVEHPVTEMVTGTDLIKEQIKVASGMELSLKQEDVEFEGWAIECRINAENPSKNFMPSPGEIKMYLPPGGLGVRVDSAAYPGYSIPPYYDSMIAKVITYGKTRDEAIARMKRALSEFVIEGIETTIPFHLKLLEHETFVSGEFNTKFLETYDVMGS
Consensus
[pKd Mean = 3.40]
-793
(s=411)
16
(s=4)
MIKKLLIANRGEIAVRIIRACRELGIETVAVYSEADKDALHVQMADEAFCIGPKASKDSYLNVTNIVSVAKLTGTDAIHPGYGFLAENADFAELCEEVNVTFVGPSADAISKMGTKDVARETMKQAGVPIVPGSQGIIENVEEAVSLANEIGYPVIIKATAGGGGKGIRVARTEEELINGIKITQQEAATAFGNPGVYIEKYIEDFRHVEIQVLADNYGNTIHLGERDCSIQRRLQKLLEESPSPALDSEIREQMGDAAVKAAKAVGYTGAGTVEFIYDYNEQRYYFMEMNTRIQVEHPVTEMVTGTDLIKEQIKVASGMELSLKQEDVEFEGWAIECRINAENPSKNFMPSPGEIKMYLPPGGLGVRVDSAAYPGYSIPPYYDSMIAKVITYGKTRDEAIARMKRALSEFVIEGIETTIPFHLKLLEHETFVSGEFNTKFLETYDVMGS