Study : bsu25160 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C9_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 C9_S1
Complex: F3S_B_9(3F7T) / Model_50(3F7T/B) = [3.1] Download286.3311.48MDVIKISPRGYCYGVVDAMVIAKNASLDKSLPRPIYILGMIVHNKHVTDAFEEEGIFTLDGSNRLDILKQVDKGTVIFTAHGVSPEVRRIAEEKGLVAIDATCPDVTKTHNLILEMKEKGYHVIYIGKKGHPEPEGAVGVAPEIVHLVETEEDVKNLDIQSEKLIVTNQTTMSQWDVHDIMELVKEKYPHVEYHQEICLATQVRQEAVSEQAKKADLTIVVGDPKSNNSNRLAQVSEEIAGTKAYRIGDLSELKLEWLKGVNTVAVTAGASTPTPITKEVIRFLEQFDHEDPSTWTTEHNIPLKKILPKVKAKN
Complex: F3S_A_3(3F7T) / Model_28(3F7T/A) = [3.2] Download245.8811.48MDVIKISPRGYCYGVVDAMVIAKNASLDKSLPRPIYILGMIVHNKHVTDAFEEEGIFTLDGSNRLDILKQVDKGTVIFTAHGVSPEVRRIAEEKGLVAIDATCPDVTKTHNLILEMKEKGYHVIYIGKKGHPEPEGAVGVAPEIVHLVETEEDVKNLDIQSEKLIVTNQTTMSQWDVHDIMELVKEKYPHVEYHQEICLATQVRQEAVSEQAKKADLTIVVGDPKSNNSNRLAQVSEEIAGTKAYRIGDLSELKLEWLKGVNTVAVTAGASTPTPITKEVIRFLEQFDHEDPSTWTTEHNIPLKKILPKVKAKN
Complex: F3S_B_6(3KEM) / Model_58(3KEM/B) = [3.3] Download258.0911.48MDVIKISPRGYCYGVVDAMVIAKNASLDKSLPRPIYILGMIVHNKHVTDAFEEEGIFTLDGSNRLDILKQVDKGTVIFTAHGVSPEVRRIAEEKGLVAIDATCPDVTKTHNLILEMKEKGYHVIYIGKKGHPEPEGAVGVAPEIVHLVETEEDVKNLDIQSEKLIVTNQTTMSQWDVHDIMELVKEKYPHVEYHQEICLATQVRQEAVSEQAKKADLTIVVGDPKSNNSNRLAQVSEEIAGTKAYRIGDLSELKLEWLKGVNTVAVTAGASTPTPITKEVIRFLEQFDHEDPSTWTTEHNIPLKKILPKVKAKN
Complex: F3S_A_4(3KEM) / Model_59(3KEM/A) = [3.3] Download301.777.10MDVIKISPRGYCYGVVDAMVIAKNASLDKSLPRPIYILGMIVHNKHVTDAFEEEGIFTLDGSNRLDILKQVDKGTVIFTAHGVSPEVRRIAEEKGLVAIDATCPDVTKTHNLILEMKEKGYHVIYIGKKGHPEPEGAVGVAPEIVHLVETEEDVKNLDIQSEKLIVTNQTTMSQWDVHDIMELVKEKYPHVEYHQEICLATQVRQEAVSEQAKKADLTIVVGDPKSNNSNRLAQVSEEIAGTKAYRIGDLSELKLEWLKGVNTVAVTAGASTPTPITKEVIRFLEQFDHEDPSTWTTEHNIPLKKILPKVKAKN
Complex: F3S_B_5(3KEL) / Model_60(3KEL/B) = [3.4] Download303.2314.89MDVIKISPRGYCYGVVDAMVIAKNASLDKSLPRPIYILGMIVHNKHVTDAFEEEGIFTLDGSNRLDILKQVDKGTVIFTAHGVSPEVRRIAEEKGLVAIDATCPDVTKTHNLILEMKEKGYHVIYIGKKGHPEPEGAVGVAPEIVHLVETEEDVKNLDIQSEKLIVTNQTTMSQWDVHDIMELVKEKYPHVEYHQEICLATQVRQEAVSEQAKKADLTIVVGDPKSNNSNRLAQVSEEIAGTKAYRIGDLSELKLEWLKGVNTVAVTAGASTPTPITKEVIRFLEQFDHEDPSTWTTEHNIPLKKILPKVKAKN
Consensus
[pKd Mean = 3.26]
-279
(s=23)
11
(s=2)
MDVIKISPRGYCYGVVDAMVIAKNASLDKSLPRPIYILGMIVHNKHVTDAFEEEGIFTLDGSNRLDILKQVDKGTVIFTAHGVSPEVRRIAEEKGLVAIDATCPDVTKTHNLILEMKEKGYHVIYIGKKGHPEPEGAVGVAPEIVHLVETEEDVKNLDIQSEKLIVTNQTTMSQWDVHDIMELVKEKYPHVEYHQEICLATQVRQEAVSEQAKKADLTIVVGDPKSNNSNRLAQVSEEIAGTKAYRIGDLSELKLEWLKGVNTVAVTAGASTPTPITKEVIRFLEQFDHEDPSTWTTEHNIPLKKILPKVKAKN