Study : Lmo1989 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: MIC_A_3(1AMI) / Model_9(1AMI/A) = [3.1] Download423.11-10.15MGKTLFDKLWNRHVIYGKEGEPQLLYVDLHLIHEVTSPQAFEGLRLENRPLRRPDKTFATMDHNVPTEDIFNIQDLVAKKQIEALQTNCAEFGVTLADMGSDRQGIVHMVGPETGLTQPGKVIVCGDSHTATHGAFGAIGFGIGSSEVEHVFATQTIWQQKPKSMGIEINGKLPKGVYAKDIILHLIATYGVAFGTGYAVEYYGETIRNMSMEERMTICNMAIEGGAKMGMMAPDETTFEYVRGREYAPTDMDKAISDWKTLQTDSDAEYDLHIKMDASILEPYVTWGTNPEMGVPFSKAFPEIKDMNYERAYEYMGLKPGQTAEQIELGYVFIGSCTNARLSDLEEAARIVKGNKVKNNIRALVVPGSRQVRNAAESIGLDKIFIEAGFEWREPGCSMCLGMNPDQVPDGVHCASTSNRNFEGRQGKGARTHLVSPAMAAAAAINGHFIDIRKVAVISGGN
Complex: ICT_A_4(1C97) / Model_17(1C97/A) = [3.5] Download630.14-11.00MGKTLFDKLWNRHVIYGKEGEPQLLYVDLHLIHEVTSPQAFEGLRLENRPLRRPDKTFATMDHNVPTEDIFNIQDLVAKKQIEALQTNCAEFGVTLADMGSDRQGIVHMVGPETGLTQPGKVIVCGDSHTATHGAFGAIGFGIGSSEVEHVFATQTIWQQKPKSMGIEINGKLPKGVYAKDIILHLIATYGVAFGTGYAVEYYGETIRNMSMEERMTICNMAIEGGAKMGMMAPDETTFEYVRGREYAPTDMDKAISDWKTLQTDSDAEYDLHIKMDASILEPYVTWGTNPEMGVPFSKAFPEIKDMNYERAYEYMGLKPGQTAEQIELGYVFIGSCTNARLSDLEEAARIVKGNKVKNNIRALVVPGSRQVRNAAESIGLDKIFIEAGFEWREPGCSMCLGMNPDQVPDGVHCASTSNRNFEGRQGKGARTHLVSPAMAAAAAINGHFIDIRKVAVISGGN
Consensus
[pKd Mean = 3.30]
-526
(s=103)
-10
(s=0)
MGKTLFDKLWNRHVIYGKEGEPQLLYVDLHLIHEVTSPQAFEGLRLENRPLRRPDKTFATMDHNVPTEDIFNIQDLVAKKQIEALQTNCAEFGVTLADMGSDRQGIVHMVGPETGLTQPGKVIVCGDSHTATHGAFGAIGFGIGSSEVEHVFATQTIWQQKPKSMGIEINGKLPKGVYAKDIILHLIATYGVAFGTGYAVEYYGETIRNMSMEERMTICNMAIEGGAKMGMMAPDETTFEYVRGREYAPTDMDKAISDWKTLQTDSDAEYDLHIKMDASILEPYVTWGTNPEMGVPFSKAFPEIKDMNYERAYEYMGLKPGQTAEQIELGYVFIGSCTNARLSDLEEAARIVKGNKVKNNIRALVVPGSRQVRNAAESIGLDKIFIEAGFEWREPGCSMCLGMNPDQVPDGVHCASTSNRNFEGRQGKGARTHLVSPAMAAAAAINGHFIDIRKVAVISGGN