Study : bsu05370 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

Download fasta file
Download text file


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_C_5(3AOW) / Model_24(3AOW/C) = [3.1] Download416.1022.16MSFPEEKKMKKLPKYRQIVHFIKEKIGNGEWPIGSKIPSQRTLAKDFQVNRSTVITALEELMADGLIEGTMGKGTVVINNTWTLMAKNSAPDWDQYVTSGIQMPSRKIVQEINQSESNTDLIQLSKGELSAEIFPLAVMKEMMGKVSQHMEAFGYEEPKGYLPLREALSNYLKTIGINVSSSSILIVSGALQALQLISMGLLQRGSTVYLDQPSYLYSLHVFQSAGMKLTGLPMDNEGLLPENVHLTRGERGRAILYTNPCFHNPTGILMSKKRREEILAVSENTQLPIIEDDIYRELWIDEIPPYPIKTIDKNGHVLYIGSLSKTLSPGLRIGWIVGPEPVIERLSDIKMQTDYGSSSLSQRVAAEWFTSGHYQQHVEKVRQQLKVRRELALSALETHLKEVATWNIPKGGFFVWIKILPSISMKLLYTKALSKGILINLGSIYAQEKGNYIRLSYAYASLEDLQKGIYELGLMIKELASR
Complex: PLP_A_3(3AOW) / Model_62(3AOW/A) = [3.4] Download458.5720.67MSFPEEKKMKKLPKYRQIVHFIKEKIGNGEWPIGSKIPSQRTLAKDFQVNRSTVITALEELMADGLIEGTMGKGTVVINNTWTLMAKNSAPDWDQYVTSGIQMPSRKIVQEINQSESNTDLIQLSKGELSAEIFPLAVMKEMMGKVSQHMEAFGYEEPKGYLPLREALSNYLKTIGINVSSSSILIVSGALQALQLISMGLLQRGSTVYLDQPSYLYSLHVFQSAGMKLTGLPMDNEGLLPENVHLTRGERGRAILYTNPCFHNPTGILMSKKRREEILAVSENTQLPIIEDDIYRELWIDEIPPYPIKTIDKNGHVLYIGSLSKTLSPGLRIGWIVGPEPVIERLSDIKMQTDYGSSSLSQRVAAEWFTSGHYQQHVEKVRQQLKVRRELALSALETHLKEVATWNIPKGGFFVWIKILPSISMKLLYTKALSKGILINLGSIYAQEKGNYIRLSYAYASLEDLQKGIYELGLMIKELASR
Complex: PLP_C_6(3ATH) / Model_23(3ATH/C) = [3.4] Download489.2223.58MSFPEEKKMKKLPKYRQIVHFIKEKIGNGEWPIGSKIPSQRTLAKDFQVNRSTVITALEELMADGLIEGTMGKGTVVINNTWTLMAKNSAPDWDQYVTSGIQMPSRKIVQEINQSESNTDLIQLSKGELSAEIFPLAVMKEMMGKVSQHMEAFGYEEPKGYLPLREALSNYLKTIGINVSSSSILIVSGALQALQLISMGLLQRGSTVYLDQPSYLYSLHVFQSAGMKLTGLPMDNEGLLPENVHLTRGERGRAILYTNPCFHNPTGILMSKKRREEILAVSENTQLPIIEDDIYRELWIDEIPPYPIKTIDKNGHVLYIGSLSKTLSPGLRIGWIVGPEPVIERLSDIKMQTDYGSSSLSQRVAAEWFTSGHYQQHVEKVRQQLKVRRELALSALETHLKEVATWNIPKGGFFVWIKILPSISMKLLYTKALSKGILINLGSIYAQEKGNYIRLSYAYASLEDLQKGIYELGLMIKELASR
Complex: PLP_C_4(3AOV) / Model_25(3AOV/C) = [3.5] Download391.5723.58MSFPEEKKMKKLPKYRQIVHFIKEKIGNGEWPIGSKIPSQRTLAKDFQVNRSTVITALEELMADGLIEGTMGKGTVVINNTWTLMAKNSAPDWDQYVTSGIQMPSRKIVQEINQSESNTDLIQLSKGELSAEIFPLAVMKEMMGKVSQHMEAFGYEEPKGYLPLREALSNYLKTIGINVSSSSILIVSGALQALQLISMGLLQRGSTVYLDQPSYLYSLHVFQSAGMKLTGLPMDNEGLLPENVHLTRGERGRAILYTNPCFHNPTGILMSKKRREEILAVSENTQLPIIEDDIYRELWIDEIPPYPIKTIDKNGHVLYIGSLSKTLSPGLRIGWIVGPEPVIERLSDIKMQTDYGSSSLSQRVAAEWFTSGHYQQHVEKVRQQLKVRRELALSALETHLKEVATWNIPKGGFFVWIKILPSISMKLLYTKALSKGILINLGSIYAQEKGNYIRLSYAYASLEDLQKGIYELGLMIKELASR
Complex: PMP_A_3(3WX9) / Model_6(3WX9/A) = [3.7] Download383.2517.94MSFPEEKKMKKLPKYRQIVHFIKEKIGNGEWPIGSKIPSQRTLAKDFQVNRSTVITALEELMADGLIEGTMGKGTVVINNTWTLMAKNSAPDWDQYVTSGIQMPSRKIVQEINQSESNTDLIQLSKGELSAEIFPLAVMKEMMGKVSQHMEAFGYEEPKGYLPLREALSNYLKTIGINVSSSSILIVSGALQALQLISMGLLQRGSTVYLDQPSYLYSLHVFQSAGMKLTGLPMDNEGLLPENVHLTRGERGRAILYTNPCFHNPTGILMSKKRREEILAVSENTQLPIIEDDIYRELWIDEIPPYPIKTIDKNGHVLYIGSLSKTLSPGLRIGWIVGPEPVIERLSDIKMQTDYGSSSLSQRVAAEWFTSGHYQQHVEKVRQQLKVRRELALSALETHLKEVATWNIPKGGFFVWIKILPSISMKLLYTKALSKGILINLGSIYAQEKGNYIRLSYAYASLEDLQKGIYELGLMIKELASR
Consensus
[pKd Mean = 3.42]		-427
(s=40)		21
(s=2)		MSFPEEKKMKKLPKYRQIVHFIKEKIGNGEWPIGSKIPSQRTLAKDFQVNRSTVITALEELMADGLIEGTMGKGTVVINNTWTLMAKNSAPDWDQYVTSGIQMPSRKIVQEINQSESNTDLIQLSKGELSAEIFPLAVMKEMMGKVSQHMEAFGYEEPKGYLPLREALSNYLKTIGINVSSSSILIVSGALQALQLISMGLLQRGSTVYLDQPSYLYSLHVFQSAGMKLTGLPMDNEGLLPENVHLTRGERGRAILYTNPCFHNPTGILMSKKRREEILAVSENTQLPIIEDDIYRELWIDEIPPYPIKTIDKNGHVLYIGSLSKTLSPGLRIGWIVGPEPVIERLSDIKMQTDYGSSSLSQRVAAEWFTSGHYQQHVEKVRQQLKVRRELALSALETHLKEVATWNIPKGGFFVWIKILPSISMKLLYTKALSKGILINLGSIYAQEKGNYIRLSYAYASLEDLQKGIYELGLMIKELASR