Study : bsu10020 (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: PLP_A_3(1BT4) / Model_61(1BT4/A) = [3.3] Download376.0113.80MERTTNFNAGPAALPLEVLQKAQKEFIDFNESGMSVMELSHRSKEYEAVHQKAKSLLIELMGIPEDYDILFLQGGASLQFSMLPMNFLTPEKTAHFVMTGAWSEKALAETKLFGNTSITATSETDNYSYIPEVDLTDVKDGAYLHITSNNTIFGTQWQEFPNSPIPLVADMSSDILSRKIDVSKFDVIYGGAQKNLGPSGVTVVIMKKSWLQNENANVPKILKYSTHVKADSLYNTPPTFAIYMLSLVLEWLKENGGVEAVEQRNEQKAQVLYSCIDESNGFYKGHARKDSRSRMNVTFTLRDDELTKTFVQKAKDAKMIGLGGHRSVGGCRASIYNAVSLEDCEKLAAFMKKFQQENE
Complex: PLP_A_3(1BT4) / Model_15(1BT4/A) = [3.3] Download559.1513.80MERTTNFNAGPAALPLEVLQKAQKEFIDFNESGMSVMELSHRSKEYEAVHQKAKSLLIELMGIPEDYDILFLQGGASLQFSMLPMNFLTPEKTAHFVMTGAWSEKALAETKLFGNTSITATSETDNYSYIPEVDLTDVKDGAYLHITSNNTIFGTQWQEFPNSPIPLVADMSSDILSRKIDVSKFDVIYGGAQKNLGPSGVTVVIMKKSWLQNENANVPKILKYSTHVKADSLYNTPPTFAIYMLSLVLEWLKENGGVEAVEQRNEQKAQVLYSCIDESNGFYKGHARKDSRSRMNVTFTLRDDELTKTFVQKAKDAKMIGLGGHRSVGGCRASIYNAVSLEDCEKLAAFMKKFQQENE
Complex: PLP_A_4(3E77) / Model_18(3E77/A) = [3.5] Download418.2719.15MERTTNFNAGPAALPLEVLQKAQKEFIDFNESGMSVMELSHRSKEYEAVHQKAKSLLIELMGIPEDYDILFLQGGASLQFSMLPMNFLTPEKTAHFVMTGAWSEKALAETKLFGNTSITATSETDNYSYIPEVDLTDVKDGAYLHITSNNTIFGTQWQEFPNSPIPLVADMSSDILSRKIDVSKFDVIYGGAQKNLGPSGVTVVIMKKSWLQNENANVPKILKYSTHVKADSLYNTPPTFAIYMLSLVLEWLKENGGVEAVEQRNEQKAQVLYSCIDESNGFYKGHARKDSRSRMNVTFTLRDDELTKTFVQKAKDAKMIGLGGHRSVGGCRASIYNAVSLEDCEKLAAFMKKFQQENE
Complex: PLP_A_4(3E77) / Model_45(3E77/A) = [3.5] Download501.4519.15MERTTNFNAGPAALPLEVLQKAQKEFIDFNESGMSVMELSHRSKEYEAVHQKAKSLLIELMGIPEDYDILFLQGGASLQFSMLPMNFLTPEKTAHFVMTGAWSEKALAETKLFGNTSITATSETDNYSYIPEVDLTDVKDGAYLHITSNNTIFGTQWQEFPNSPIPLVADMSSDILSRKIDVSKFDVIYGGAQKNLGPSGVTVVIMKKSWLQNENANVPKILKYSTHVKADSLYNTPPTFAIYMLSLVLEWLKENGGVEAVEQRNEQKAQVLYSCIDESNGFYKGHARKDSRSRMNVTFTLRDDELTKTFVQKAKDAKMIGLGGHRSVGGCRASIYNAVSLEDCEKLAAFMKKFQQENE
Complex: PLP_B_10(2BIG) / Model_31(2BIG/B) = [3.6] Download362.2713.36MERTTNFNAGPAALPLEVLQKAQKEFIDFNESGMSVMELSHRSKEYEAVHQKAKSLLIELMGIPEDYDILFLQGGASLQFSMLPMNFLTPEKTAHFVMTGAWSEKALAETKLFGNTSITATSETDNYSYIPEVDLTDVKDGAYLHITSNNTIFGTQWQEFPNSPIPLVADMSSDILSRKIDVSKFDVIYGGAQKNLGPSGVTVVIMKKSWLQNENANVPKILKYSTHVKADSLYNTPPTFAIYMLSLVLEWLKENGGVEAVEQRNEQKAQVLYSCIDESNGFYKGHARKDSRSRMNVTFTLRDDELTKTFVQKAKDAKMIGLGGHRSVGGCRASIYNAVSLEDCEKLAAFMKKFQQENE
Consensus
[pKd Mean = 3.44]
-443
(s=75)
15
(s=2)
MERTTNFNAGPAALPLEVLQKAQKEFIDFNESGMSVMELSHRSKEYEAVHQKAKSLLIELMGIPEDYDILFLQGGASLQFSMLPMNFLTPEKTAHFVMTGAWSEKALAETKLFGNTSITATSETDNYSYIPEVDLTDVKDGAYLHITSNNTIFGTQWQEFPNSPIPLVADMSSDILSRKIDVSKFDVIYGGAQKNLGPSGVTVVIMKKSWLQNENANVPKILKYSTHVKADSLYNTPPTFAIYMLSLVLEWLKENGGVEAVEQRNEQKAQVLYSCIDESNGFYKGHARKDSRSRMNVTFTLRDDELTKTFVQKAKDAKMIGLGGHRSVGGCRASIYNAVSLEDCEKLAAFMKKFQQENE