Study : jhp_1015 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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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_B_4(2FNI) / Model_22(2FNI/B) = [4.5] Download505.4312.68MKKFAYSEPCLDEEDKKAVLEVLNSKQLTQGKYSLLFEEALCEFLGVKHALAFNSATSALLTLYRNFSDFNADRNEIITTPISFVATANMLLESGYTPVFAEVKNDGNIDELALEKLITKKTKAIVSVDYAGKSVEIESIQRLCKKYSLSFLSDSSHALGSEYQNKKVGGFALASVFSFHAIKPITTAEGGAVVTNNSELYEKMKLFRSHGMLKKDFFEGEVKSVGYNFRLNEIQSALGLSQLKKAPLLRQKREEVALIYDEIFKDNPYFTPLHPLLKHQSSNHLYPILMHQKFFTCKKLILESLHKLGILVQVHYKPIYQYQLYQQLFNTAPLKSAEDFYSAEISLPCHANLDLESVQNIAHGVLKTFEGFNRMGFI
Complex: PMP_A_2(1MDO) / Model_35(1MDO/A) = [4.6] Download595.4712.59MKKFAYSEPCLDEEDKKAVLEVLNSKQLTQGKYSLLFEEALCEFLGVKHALAFNSATSALLTLYRNFSDFNADRNEIITTPISFVATANMLLESGYTPVFAEVKNDGNIDELALEKLITKKTKAIVSVDYAGKSVEIESIQRLCKKYSLSFLSDSSHALGSEYQNKKVGGFALASVFSFHAIKPITTAEGGAVVTNNSELYEKMKLFRSHGMLKKDFFEGEVKSVGYNFRLNEIQSALGLSQLKKAPLLRQKREEVALIYDEIFKDNPYFTPLHPLLKHQSSNHLYPILMHQKFFTCKKLILESLHKLGILVQVHYKPIYQYQLYQQLFNTAPLKSAEDFYSAEISLPCHANLDLESVQNIAHGVLKTFEGFNRMGFI
Complex: UD1_F_6(2FNU) / Model_21(2FNU/B) = [5.0] Download1279.7925.36MKKFAYSEPCLDEEDKKAVLEVLNSKQLTQGKYSLLFEEALCEFLGVKHALAFNSATSALLTLYRNFSDFNADRNEIITTPISFVATANMLLESGYTPVFAEVKNDGNIDELALEKLITKKTKAIVSVDYAGKSVEIESIQRLCKKYSLSFLSDSSHALGSEYQNKKVGGFALASVFSFHAIKPITTAEGGAVVTNNSELYEKMKLFRSHGMLKKDFFEGEVKSVGYNFRLNEIQSALGLSQLKKAPLLRQKREEVALIYDEIFKDNPYFTPLHPLLKHQSSNHLYPILMHQKFFTCKKLILESLHKLGILVQVHYKPIYQYQLYQQLFNTAPLKSAEDFYSAEISLPCHANLDLESVQNIAHGVLKTFEGFNRMGFI
Complex: UD1_D_4(2FNU) / Model_3(2FNU/A) = [5.1] Download1441.9125.36MKKFAYSEPCLDEEDKKAVLEVLNSKQLTQGKYSLLFEEALCEFLGVKHALAFNSATSALLTLYRNFSDFNADRNEIITTPISFVATANMLLESGYTPVFAEVKNDGNIDELALEKLITKKTKAIVSVDYAGKSVEIESIQRLCKKYSLSFLSDSSHALGSEYQNKKVGGFALASVFSFHAIKPITTAEGGAVVTNNSELYEKMKLFRSHGMLKKDFFEGEVKSVGYNFRLNEIQSALGLSQLKKAPLLRQKREEVALIYDEIFKDNPYFTPLHPLLKHQSSNHLYPILMHQKFFTCKKLILESLHKLGILVQVHYKPIYQYQLYQQLFNTAPLKSAEDFYSAEISLPCHANLDLESVQNIAHGVLKTFEGFNRMGFI
Complex: UD1_D_4(2FNU) / Model_43(2FNU/A) = [5.1] Download1525.9625.36MKKFAYSEPCLDEEDKKAVLEVLNSKQLTQGKYSLLFEEALCEFLGVKHALAFNSATSALLTLYRNFSDFNADRNEIITTPISFVATANMLLESGYTPVFAEVKNDGNIDELALEKLITKKTKAIVSVDYAGKSVEIESIQRLCKKYSLSFLSDSSHALGSEYQNKKVGGFALASVFSFHAIKPITTAEGGAVVTNNSELYEKMKLFRSHGMLKKDFFEGEVKSVGYNFRLNEIQSALGLSQLKKAPLLRQKREEVALIYDEIFKDNPYFTPLHPLLKHQSSNHLYPILMHQKFFTCKKLILESLHKLGILVQVHYKPIYQYQLYQQLFNTAPLKSAEDFYSAEISLPCHANLDLESVQNIAHGVLKTFEGFNRMGFI
Consensus
[pKd Mean = 4.86]		-1069
(s=432)		20
(s=6)		MKKFAYSEPCLDEEDKKAVLEVLNSKQLTQGKYSLLFEEALCEFLGVKHALAFNSATSALLTLYRNFSDFNADRNEIITTPISFVATANMLLESGYTPVFAEVKNDGNIDELALEKLITKKTKAIVSVDYAGKSVEIESIQRLCKKYSLSFLSDSSHALGSEYQNKKVGGFALASVFSFHAIKPITTAEGGAVVTNNSELYEKMKLFRSHGMLKKDFFEGEVKSVGYNFRLNEIQSALGLSQLKKAPLLRQKREEVALIYDEIFKDNPYFTPLHPLLKHQSSNHLYPILMHQKFFTCKKLILESLHKLGILVQVHYKPIYQYQLYQQLFNTAPLKSAEDFYSAEISLPCHANLDLESVQNIAHGVLKTFEGFNRMGFI