Study : bsu05940 (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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: AMP_B_6(3WUH) / Model_31(3WUH/B) = [4.6] Download557.935.08MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIVFPALALVVSGGHTELVYMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGNDNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR
Complex: AMP_B_4(3ZET) / Model_1(3ZET/B) = [4.6] Download834.22-0.69MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIVFPALALVVSGGHTELVYMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGNDNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR
Complex: AMP_A_4(3WUH) / Model_12(3WUH/A) = [5.1] Download830.018.96MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIVFPALALVVSGGHTELVYMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGNDNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR
Complex: ANP_B_4(2VWB) / Model_30(2VWB/B) = [5.6] Download868.9112.30MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIVFPALALVVSGGHTELVYMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGNDNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR
Complex: ANP_A_3(2IVN) / Model_46(2IVN/A) = [6.2] Download801.5020.50MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIVFPALALVVSGGHTELVYMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGNDNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR
Consensus
[pKd Mean = 5.22]
-778
(s=112)
9
(s=7)
MSEQKDMYVLGIETSCDETAAAIVKNGKEIISNVVASQIESHKRFGGVVPEIASRHHVEQITLVIEEAFRKAGMTYSDIDAIAVTEGPGLVGALLIGVNAAKALSFAYNIPLVGVHHIAGHIYANRLVEDIVFPALALVVSGGHTELVYMKEHGSFEVIGETLDDAAGEAYDKVARTMGLPYPGGPQIDKLAEKGNDNIPLPRAWLEEGSYNFSFSGLKSAVINTLHNASQKGQEIAPEDLSASFQNSVIDVLVTKTARAAKEYDVKQVLLAGGVAANRGLRAALEKEFAQHEGITLVIPPLALCTDNAAMIAAAGTIAFEKGIRGAYDMNGQPGLELTSYQSLTR