Study : Wbm0088 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_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 C3_S1
Complex: GN1_A_5(4K6R) / Model_34(4K6R/A) = [4.0] Download910.8115.46MFIILAAGHGKRMNSGLPKVLHKIGNFSMLQHIIYNARQLNPENISVVANLPLIERLKCLEDIQLITQESTLGTGDAVKTAVRNMKELSDSNIIVVQYGDTPLIKNSTITQMVSCLEGKALVCLGFKTSNKEYGRLIIENGSLREIVETQDDENSDEEFLANAGIMVAYAKNLRELVEKIECNGSTYEYYLTDIVSIAVKSNLNVGYVTTDEEEATGINSRNDLAKAEFYFQENRRKFFTDSGVTLVAPETVFFSLDTQIGMDSIIYPYVFFGPGVRIGPGAKIGPFTKCEDTTIGDGAIVGNFVEAKASDIGTNTKIKHLSYIGNTEVGRESNIGAGTVVCNYDGKKKHRTNIGSNCFVGANSSLIAPLNVHDESVIAAGSIIVKDVPKKRLVITRRKQMVKKIK
Complex: 1SF_A_2(4KPZ) / Model_13(4KPZ/A) = [4.8] Download654.2534.87MFIILAAGHGKRMNSGLPKVLHKIGNFSMLQHIIYNARQLNPENISVVANLPLIERLKCLEDIQLITQESTLGTGDAVKTAVRNMKELSDSNIIVVQYGDTPLIKNSTITQMVSCLEGKALVCLGFKTSNKEYGRLIIENGSLREIVETQDDENSDEEFLANAGIMVAYAKNLRELVEKIECNGSTYEYYLTDIVSIAVKSNLNVGYVTTDEEEATGINSRNDLAKAEFYFQENRRKFFTDSGVTLVAPETVFFSLDTQIGMDSIIYPYVFFGPGVRIGPGAKIGPFTKCEDTTIGDGAIVGNFVEAKASDIGTNTKIKHLSYIGNTEVGRESNIGAGTVVCNYDGKKKHRTNIGSNCFVGANSSLIAPLNVHDESVIAAGSIIVKDVPKKRLVITRRKQMVKKIK
Complex: 0N5_A_6(4E1K) / Model_9(4E1K/A) = [6.2] Download1458.8123.76MFIILAAGHGKRMNSGLPKVLHKIGNFSMLQHIIYNARQLNPENISVVANLPLIERLKCLEDIQLITQESTLGTGDAVKTAVRNMKELSDSNIIVVQYGDTPLIKNSTITQMVSCLEGKALVCLGFKTSNKEYGRLIIENGSLREIVETQDDENSDEEFLANAGIMVAYAKNLRELVEKIECNGSTYEYYLTDIVSIAVKSNLNVGYVTTDEEEATGINSRNDLAKAEFYFQENRRKFFTDSGVTLVAPETVFFSLDTQIGMDSIIYPYVFFGPGVRIGPGAKIGPFTKCEDTTIGDGAIVGNFVEAKASDIGTNTKIKHLSYIGNTEVGRESNIGAGTVVCNYDGKKKHRTNIGSNCFVGANSSLIAPLNVHDESVIAAGSIIVKDVPKKRLVITRRKQMVKKIK
Complex: UD1_A_6(4G87) / Model_36(4G87/A) = [6.8] Download1332.6923.37MFIILAAGHGKRMNSGLPKVLHKIGNFSMLQHIIYNARQLNPENISVVANLPLIERLKCLEDIQLITQESTLGTGDAVKTAVRNMKELSDSNIIVVQYGDTPLIKNSTITQMVSCLEGKALVCLGFKTSNKEYGRLIIENGSLREIVETQDDENSDEEFLANAGIMVAYAKNLRELVEKIECNGSTYEYYLTDIVSIAVKSNLNVGYVTTDEEEATGINSRNDLAKAEFYFQENRRKFFTDSGVTLVAPETVFFSLDTQIGMDSIIYPYVFFGPGVRIGPGAKIGPFTKCEDTTIGDGAIVGNFVEAKASDIGTNTKIKHLSYIGNTEVGRESNIGAGTVVCNYDGKKKHRTNIGSNCFVGANSSLIAPLNVHDESVIAAGSIIVKDVPKKRLVITRRKQMVKKIK
Complex: LZR_A_2(2W0V) / Model_7(2W0V/A) = [6.8] Download1435.7127.41MFIILAAGHGKRMNSGLPKVLHKIGNFSMLQHIIYNARQLNPENISVVANLPLIERLKCLEDIQLITQESTLGTGDAVKTAVRNMKELSDSNIIVVQYGDTPLIKNSTITQMVSCLEGKALVCLGFKTSNKEYGRLIIENGSLREIVETQDDENSDEEFLANAGIMVAYAKNLRELVEKIECNGSTYEYYLTDIVSIAVKSNLNVGYVTTDEEEATGINSRNDLAKAEFYFQENRRKFFTDSGVTLVAPETVFFSLDTQIGMDSIIYPYVFFGPGVRIGPGAKIGPFTKCEDTTIGDGAIVGNFVEAKASDIGTNTKIKHLSYIGNTEVGRESNIGAGTVVCNYDGKKKHRTNIGSNCFVGANSSLIAPLNVHDESVIAAGSIIVKDVPKKRLVITRRKQMVKKIK
Consensus
[pKd Mean = 5.72]
-1158
(s=320)
24
(s=6)
MFIILAAGHGKRMNSGLPKVLHKIGNFSMLQHIIYNARQLNPENISVVANLPLIERLKCLEDIQLITQESTLGTGDAVKTAVRNMKELSDSNIIVVQYGDTPLIKNSTITQMVSCLEGKALVCLGFKTSNKEYGRLIIENGSLREIVETQDDENSDEEFLANAGIMVAYAKNLRELVEKIECNGSTYEYYLTDIVSIAVKSNLNVGYVTTDEEEATGINSRNDLAKAEFYFQENRRKFFTDSGVTLVAPETVFFSLDTQIGMDSIIYPYVFFGPGVRIGPGAKIGPFTKCEDTTIGDGAIVGNFVEAKASDIGTNTKIKHLSYIGNTEVGRESNIGAGTVVCNYDGKKKHRTNIGSNCFVGANSSLIAPLNVHDESVIAAGSIIVKDVPKKRLVITRRKQMVKKIK