Study : bsu09290 (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: GOL_D_4(1XUP) / Model_51(1XUP/X) = [3.1] Download140.8341.70METYILSLDQGTTSSRAILFNKEGKIVHSAQKEFTQYFPHPGWVEHNANEIWGSVLAVIASVISESGISASQIAGIGITNQRETTVVWDKDTGSPVYNAIVWQSRQTSGICEELREKGYNDKFREKTGLLIDPYFSGTKVKWILDNVEGAREKAEKGELLFGTIDTWLIWKMSGGKAHVTDYSNASRTLMFNIYDLKWDDELLDILGVPKSMLPEVKPSSHVYAETVDYHFFGKNIPIAGAAGDQQSALFGQACFEEGMGKNTYGTGCFMLMNTGEKAIKSEHGLLTTIAWGIDGKVNYALEGSIFVAGSAIQWLRDGLRMFQDSSLSESYAEKVDSTDGVYVVPAFVGLGTPYWDSDVRGSVFGLTRGTTKEHFIRATLESLAYQTKDVLDAMEADSNISLKTLRVDGGAVKNNFLMQFQGDLLNVPVERPEINETTALGAAYLAGIAVGFWKDRSEIANQWNLDKRFEPELEEEKRNELYKGWQKAVKAAMAFK
Complex: EDO_A_9(2W41) / Model_68(2W41/A) = [3.1] Download322.969.18METYILSLDQGTTSSRAILFNKEGKIVHSAQKEFTQYFPHPGWVEHNANEIWGSVLAVIASVISESGISASQIAGIGITNQRETTVVWDKDTGSPVYNAIVWQSRQTSGICEELREKGYNDKFREKTGLLIDPYFSGTKVKWILDNVEGAREKAEKGELLFGTIDTWLIWKMSGGKAHVTDYSNASRTLMFNIYDLKWDDELLDILGVPKSMLPEVKPSSHVYAETVDYHFFGKNIPIAGAAGDQQSALFGQACFEEGMGKNTYGTGCFMLMNTGEKAIKSEHGLLTTIAWGIDGKVNYALEGSIFVAGSAIQWLRDGLRMFQDSSLSESYAEKVDSTDGVYVVPAFVGLGTPYWDSDVRGSVFGLTRGTTKEHFIRATLESLAYQTKDVLDAMEADSNISLKTLRVDGGAVKNNFLMQFQGDLLNVPVERPEINETTALGAAYLAGIAVGFWKDRSEIANQWNLDKRFEPELEEEKRNELYKGWQKAVKAAMAFK
Complex: MPD_D_4(2D4W) / Model_53(2D4W/B) = [3.2] Download341.3722.43METYILSLDQGTTSSRAILFNKEGKIVHSAQKEFTQYFPHPGWVEHNANEIWGSVLAVIASVISESGISASQIAGIGITNQRETTVVWDKDTGSPVYNAIVWQSRQTSGICEELREKGYNDKFREKTGLLIDPYFSGTKVKWILDNVEGAREKAEKGELLFGTIDTWLIWKMSGGKAHVTDYSNASRTLMFNIYDLKWDDELLDILGVPKSMLPEVKPSSHVYAETVDYHFFGKNIPIAGAAGDQQSALFGQACFEEGMGKNTYGTGCFMLMNTGEKAIKSEHGLLTTIAWGIDGKVNYALEGSIFVAGSAIQWLRDGLRMFQDSSLSESYAEKVDSTDGVYVVPAFVGLGTPYWDSDVRGSVFGLTRGTTKEHFIRATLESLAYQTKDVLDAMEADSNISLKTLRVDGGAVKNNFLMQFQGDLLNVPVERPEINETTALGAAYLAGIAVGFWKDRSEIANQWNLDKRFEPELEEEKRNELYKGWQKAVKAAMAFK
Complex: GOL_X_4(3D7E) / Model_45(3D7E/X) = [3.3] Download206.5222.08METYILSLDQGTTSSRAILFNKEGKIVHSAQKEFTQYFPHPGWVEHNANEIWGSVLAVIASVISESGISASQIAGIGITNQRETTVVWDKDTGSPVYNAIVWQSRQTSGICEELREKGYNDKFREKTGLLIDPYFSGTKVKWILDNVEGAREKAEKGELLFGTIDTWLIWKMSGGKAHVTDYSNASRTLMFNIYDLKWDDELLDILGVPKSMLPEVKPSSHVYAETVDYHFFGKNIPIAGAAGDQQSALFGQACFEEGMGKNTYGTGCFMLMNTGEKAIKSEHGLLTTIAWGIDGKVNYALEGSIFVAGSAIQWLRDGLRMFQDSSLSESYAEKVDSTDGVYVVPAFVGLGTPYWDSDVRGSVFGLTRGTTKEHFIRATLESLAYQTKDVLDAMEADSNISLKTLRVDGGAVKNNFLMQFQGDLLNVPVERPEINETTALGAAYLAGIAVGFWKDRSEIANQWNLDKRFEPELEEEKRNELYKGWQKAVKAAMAFK
Complex: GOL_X_3(3H3N) / Model_88(3H3N/X) = [3.4] Download203.2822.08METYILSLDQGTTSSRAILFNKEGKIVHSAQKEFTQYFPHPGWVEHNANEIWGSVLAVIASVISESGISASQIAGIGITNQRETTVVWDKDTGSPVYNAIVWQSRQTSGICEELREKGYNDKFREKTGLLIDPYFSGTKVKWILDNVEGAREKAEKGELLFGTIDTWLIWKMSGGKAHVTDYSNASRTLMFNIYDLKWDDELLDILGVPKSMLPEVKPSSHVYAETVDYHFFGKNIPIAGAAGDQQSALFGQACFEEGMGKNTYGTGCFMLMNTGEKAIKSEHGLLTTIAWGIDGKVNYALEGSIFVAGSAIQWLRDGLRMFQDSSLSESYAEKVDSTDGVYVVPAFVGLGTPYWDSDVRGSVFGLTRGTTKEHFIRATLESLAYQTKDVLDAMEADSNISLKTLRVDGGAVKNNFLMQFQGDLLNVPVERPEINETTALGAAYLAGIAVGFWKDRSEIANQWNLDKRFEPELEEEKRNELYKGWQKAVKAAMAFK
Consensus
[pKd Mean = 3.22]
-242
(s=76)
23
(s=10)
METYILSLDQGTTSSRAILFNKEGKIVHSAQKEFTQYFPHPGWVEHNANEIWGSVLAVIASVISESGISASQIAGIGITNQRETTVVWDKDTGSPVYNAIVWQSRQTSGICEELREKGYNDKFREKTGLLIDPYFSGTKVKWILDNVEGAREKAEKGELLFGTIDTWLIWKMSGGKAHVTDYSNASRTLMFNIYDLKWDDELLDILGVPKSMLPEVKPSSHVYAETVDYHFFGKNIPIAGAAGDQQSALFGQACFEEGMGKNTYGTGCFMLMNTGEKAIKSEHGLLTTIAWGIDGKVNYALEGSIFVAGSAIQWLRDGLRMFQDSSLSESYAEKVDSTDGVYVVPAFVGLGTPYWDSDVRGSVFGLTRGTTKEHFIRATLESLAYQTKDVLDAMEADSNISLKTLRVDGGAVKNNFLMQFQGDLLNVPVERPEINETTALGAAYLAGIAVGFWKDRSEIANQWNLDKRFEPELEEEKRNELYKGWQKAVKAAMAFK