Study : bsu36760 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: FCN_G_7(1UAE) / Model_7(1UAE/A) = [3.1] Download344.97-3.82MEKIIVRGGQKLNGTVKVEGAKNAVLPVIAASLLASEEKSVICDVPTLSDVYTINEVLRHLGADVHFENNEVTVNASYALQTEAPFEYVRKMRASVLVMGPLLARTGHARVALPGGCAIGSRPIDQHLKGFEAMGAEIKVGNGFIEAEVKGRLQGAKIYLDFPSVGATENLIMAAALAEGTTTLENVAKEPEIVDLANYINGMGGKIRGAGTGTIKIEGVEKLHGVKHHIIPDRIEAGTFMVAAAITEGNVLVKGAVPEHLTSLIAKMEEMGVTIKDEGEGLRVIGPKELKPIDIKTMPHPGFPTDMQSQMMALLLRASGTSMITETVFENRFMHAEEFRRMNGDIKIEGRSVIINGPVQLQGAEVAATDLRAGAALILAGLVAEGHTRVTELKHLDRGYVDFHQKLAALGADIERVNDESASEQENKEVVSDLNA
Complex: FLC_A_2(3ZH4) / Model_46(3ZH4/A) = [3.4] Download618.4311.15MEKIIVRGGQKLNGTVKVEGAKNAVLPVIAASLLASEEKSVICDVPTLSDVYTINEVLRHLGADVHFENNEVTVNASYALQTEAPFEYVRKMRASVLVMGPLLARTGHARVALPGGCAIGSRPIDQHLKGFEAMGAEIKVGNGFIEAEVKGRLQGAKIYLDFPSVGATENLIMAAALAEGTTTLENVAKEPEIVDLANYINGMGGKIRGAGTGTIKIEGVEKLHGVKHHIIPDRIEAGTFMVAAAITEGNVLVKGAVPEHLTSLIAKMEEMGVTIKDEGEGLRVIGPKELKPIDIKTMPHPGFPTDMQSQMMALLLRASGTSMITETVFENRFMHAEEFRRMNGDIKIEGRSVIINGPVQLQGAEVAATDLRAGAALILAGLVAEGHTRVTELKHLDRGYVDFHQKLAALGADIERVNDESASEQENKEVVSDLNA
Complex: FLC_A_2(3ZH4) / Model_14(3ZH4/A) = [4.1] Download517.324.94MEKIIVRGGQKLNGTVKVEGAKNAVLPVIAASLLASEEKSVICDVPTLSDVYTINEVLRHLGADVHFENNEVTVNASYALQTEAPFEYVRKMRASVLVMGPLLARTGHARVALPGGCAIGSRPIDQHLKGFEAMGAEIKVGNGFIEAEVKGRLQGAKIYLDFPSVGATENLIMAAALAEGTTTLENVAKEPEIVDLANYINGMGGKIRGAGTGTIKIEGVEKLHGVKHHIIPDRIEAGTFMVAAAITEGNVLVKGAVPEHLTSLIAKMEEMGVTIKDEGEGLRVIGPKELKPIDIKTMPHPGFPTDMQSQMMALLLRASGTSMITETVFENRFMHAEEFRRMNGDIKIEGRSVIINGPVQLQGAEVAATDLRAGAALILAGLVAEGHTRVTELKHLDRGYVDFHQKLAALGADIERVNDESASEQENKEVVSDLNA
Complex: EPU_A_3(2YVW) / Model_53(2YVW/A) = [4.7] Download2027.0517.67MEKIIVRGGQKLNGTVKVEGAKNAVLPVIAASLLASEEKSVICDVPTLSDVYTINEVLRHLGADVHFENNEVTVNASYALQTEAPFEYVRKMRASVLVMGPLLARTGHARVALPGGCAIGSRPIDQHLKGFEAMGAEIKVGNGFIEAEVKGRLQGAKIYLDFPSVGATENLIMAAALAEGTTTLENVAKEPEIVDLANYINGMGGKIRGAGTGTIKIEGVEKLHGVKHHIIPDRIEAGTFMVAAAITEGNVLVKGAVPEHLTSLIAKMEEMGVTIKDEGEGLRVIGPKELKPIDIKTMPHPGFPTDMQSQMMALLLRASGTSMITETVFENRFMHAEEFRRMNGDIKIEGRSVIINGPVQLQGAEVAATDLRAGAALILAGLVAEGHTRVTELKHLDRGYVDFHQKLAALGADIERVNDESASEQENKEVVSDLNA
Complex: UD1_A_6(2RL2) / Model_11(2RL2/A) = [5.4] Download1424.7418.00MEKIIVRGGQKLNGTVKVEGAKNAVLPVIAASLLASEEKSVICDVPTLSDVYTINEVLRHLGADVHFENNEVTVNASYALQTEAPFEYVRKMRASVLVMGPLLARTGHARVALPGGCAIGSRPIDQHLKGFEAMGAEIKVGNGFIEAEVKGRLQGAKIYLDFPSVGATENLIMAAALAEGTTTLENVAKEPEIVDLANYINGMGGKIRGAGTGTIKIEGVEKLHGVKHHIIPDRIEAGTFMVAAAITEGNVLVKGAVPEHLTSLIAKMEEMGVTIKDEGEGLRVIGPKELKPIDIKTMPHPGFPTDMQSQMMALLLRASGTSMITETVFENRFMHAEEFRRMNGDIKIEGRSVIINGPVQLQGAEVAATDLRAGAALILAGLVAEGHTRVTELKHLDRGYVDFHQKLAALGADIERVNDESASEQENKEVVSDLNA
Consensus
[pKd Mean = 4.14]		-986
(s=639)		9
(s=8)		MEKIIVRGGQKLNGTVKVEGAKNAVLPVIAASLLASEEKSVICDVPTLSDVYTINEVLRHLGADVHFENNEVTVNASYALQTEAPFEYVRKMRASVLVMGPLLARTGHARVALPGGCAIGSRPIDQHLKGFEAMGAEIKVGNGFIEAEVKGRLQGAKIYLDFPSVGATENLIMAAALAEGTTTLENVAKEPEIVDLANYINGMGGKIRGAGTGTIKIEGVEKLHGVKHHIIPDRIEAGTFMVAAAITEGNVLVKGAVPEHLTSLIAKMEEMGVTIKDEGEGLRVIGPKELKPIDIKTMPHPGFPTDMQSQMMALLLRASGTSMITETVFENRFMHAEEFRRMNGDIKIEGRSVIINGPVQLQGAEVAATDLRAGAALILAGLVAEGHTRVTELKHLDRGYVDFHQKLAALGADIERVNDESASEQENKEVVSDLNA