Study : PA0193 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C7_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 C7_S1
Complex: AKG_B_8(1OII) / Model_27(1OII/B) = [3.1] Download388.9430.40MSNAAQALATPVRLDIRPVAGRIGAEIRGVTLSGELDAATVEAIQAALVRHKVIFFRDQSHLDDQTQEAFAHLLGEPVAHPTVPSREGTRFLLELDGAEGRRANSWHTDVTFVEAYPKASILRSVVAPESGGDTVWANTASAYADLPAELRELADRLWAVHSNEYDYAGVKPSASVEQLENYRKVFTSTVYETEHPVVRVHPQSGERTLLLGHFVKRLKGLSQHDSAHLFAVLQGHVTRLENTVRWRWQAGDVAIWDNRATQHYAIDDYGDQPRVVRRVTLGGDVPVGIDGQRSRTIRKA
Complex: SIN_C_7(1VZ5) / Model_22(1VZ5/C) = [3.1] Download338.8720.57MSNAAQALATPVRLDIRPVAGRIGAEIRGVTLSGELDAATVEAIQAALVRHKVIFFRDQSHLDDQTQEAFAHLLGEPVAHPTVPSREGTRFLLELDGAEGRRANSWHTDVTFVEAYPKASILRSVVAPESGGDTVWANTASAYADLPAELRELADRLWAVHSNEYDYAGVKPSASVEQLENYRKVFTSTVYETEHPVVRVHPQSGERTLLLGHFVKRLKGLSQHDSAHLFAVLQGHVTRLENTVRWRWQAGDVAIWDNRATQHYAIDDYGDQPRVVRRVTLGGDVPVGIDGQRSRTIRKA
Complex: SIN_D_8(1VZ5) / Model_21(1VZ5/D) = [3.1] Download348.9927.00MSNAAQALATPVRLDIRPVAGRIGAEIRGVTLSGELDAATVEAIQAALVRHKVIFFRDQSHLDDQTQEAFAHLLGEPVAHPTVPSREGTRFLLELDGAEGRRANSWHTDVTFVEAYPKASILRSVVAPESGGDTVWANTASAYADLPAELRELADRLWAVHSNEYDYAGVKPSASVEQLENYRKVFTSTVYETEHPVVRVHPQSGERTLLLGHFVKRLKGLSQHDSAHLFAVLQGHVTRLENTVRWRWQAGDVAIWDNRATQHYAIDDYGDQPRVVRRVTLGGDVPVGIDGQRSRTIRKA
Complex: AKG_C_10(1OII) / Model_26(1OII/C) = [3.1] Download417.8919.76MSNAAQALATPVRLDIRPVAGRIGAEIRGVTLSGELDAATVEAIQAALVRHKVIFFRDQSHLDDQTQEAFAHLLGEPVAHPTVPSREGTRFLLELDGAEGRRANSWHTDVTFVEAYPKASILRSVVAPESGGDTVWANTASAYADLPAELRELADRLWAVHSNEYDYAGVKPSASVEQLENYRKVFTSTVYETEHPVVRVHPQSGERTLLLGHFVKRLKGLSQHDSAHLFAVLQGHVTRLENTVRWRWQAGDVAIWDNRATQHYAIDDYGDQPRVVRRVTLGGDVPVGIDGQRSRTIRKA
Complex: SIN_B_6(1VZ5) / Model_23(1VZ5/B) = [3.1] Download319.4223.50MSNAAQALATPVRLDIRPVAGRIGAEIRGVTLSGELDAATVEAIQAALVRHKVIFFRDQSHLDDQTQEAFAHLLGEPVAHPTVPSREGTRFLLELDGAEGRRANSWHTDVTFVEAYPKASILRSVVAPESGGDTVWANTASAYADLPAELRELADRLWAVHSNEYDYAGVKPSASVEQLENYRKVFTSTVYETEHPVVRVHPQSGERTLLLGHFVKRLKGLSQHDSAHLFAVLQGHVTRLENTVRWRWQAGDVAIWDNRATQHYAIDDYGDQPRVVRRVTLGGDVPVGIDGQRSRTIRKA
Consensus
[pKd Mean = 3.10]
-362
(s=35)
24
(s=3)
MSNAAQALATPVRLDIRPVAGRIGAEIRGVTLSGELDAATVEAIQAALVRHKVIFFRDQSHLDDQTQEAFAHLLGEPVAHPTVPSREGTRFLLELDGAEGRRANSWHTDVTFVEAYPKASILRSVVAPESGGDTVWANTASAYADLPAELRELADRLWAVHSNEYDYAGVKPSASVEQLENYRKVFTSTVYETEHPVVRVHPQSGERTLLLGHFVKRLKGLSQHDSAHLFAVLQGHVTRLENTVRWRWQAGDVAIWDNRATQHYAIDDYGDQPRVVRRVTLGGDVPVGIDGQRSRTIRKA