Study : bsu37150 (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: UTP_A_3(4ZDJ) / Model_32(4ZDJ/A) = [4.5] Download1433.786.37MTKYIFVTGGVVSSLGKGIVAASLGRLLKNRGLNVTIQKFDPYINVDPGTMSPYQHGEVFVTDDGAETDLDLGHYERFIDINLNKFSNVTTGKIYSTVLKKERRGDYLGGTVQVIPHITNELKDRVYRAGKETNADVVITEIGGTVGDIESLPFLEAIRQMKSDIGRENVMYIHCTLVPYIKAAGELKTKPTQHSVKELRSLGIQPNIIVVRTEMPISQDMKDKIALFCDIDTKAVIECEDADNLYSIPLELQKQGLDKLVCEHMKLACKEAEMSEWKELVNKVSNLSQTITIGLVGKYVELPDAYISVVESLRHAGYAFDTDVKVKWINAEEVTENNIAELTSGTDGIIVPGGFGDRGVEGKIVATKYARENNIPFLGICLGMQVASIEYARNVLGLKGAHSAEIDPSTQYPIIDLLPEQKDVEDLGGTLRLGLYPCKLEEGTKAFEVYQDEVVYERHRHRYEFNNEFRQQMEEQGFVFSGTSPDGRLVEIIELKDHPWFVASQFHPEFKSRPTRPQPLFKGFIGASVEAANQK
Complex: UTP_A_3(4ZDJ) / Model_3(4ZDJ/A) = [4.5] Download1419.276.37MTKYIFVTGGVVSSLGKGIVAASLGRLLKNRGLNVTIQKFDPYINVDPGTMSPYQHGEVFVTDDGAETDLDLGHYERFIDINLNKFSNVTTGKIYSTVLKKERRGDYLGGTVQVIPHITNELKDRVYRAGKETNADVVITEIGGTVGDIESLPFLEAIRQMKSDIGRENVMYIHCTLVPYIKAAGELKTKPTQHSVKELRSLGIQPNIIVVRTEMPISQDMKDKIALFCDIDTKAVIECEDADNLYSIPLELQKQGLDKLVCEHMKLACKEAEMSEWKELVNKVSNLSQTITIGLVGKYVELPDAYISVVESLRHAGYAFDTDVKVKWINAEEVTENNIAELTSGTDGIIVPGGFGDRGVEGKIVATKYARENNIPFLGICLGMQVASIEYARNVLGLKGAHSAEIDPSTQYPIIDLLPEQKDVEDLGGTLRLGLYPCKLEEGTKAFEVYQDEVVYERHRHRYEFNNEFRQQMEEQGFVFSGTSPDGRLVEIIELKDHPWFVASQFHPEFKSRPTRPQPLFKGFIGASVEAANQK
Complex: ACP_B_8(4ZDK) / Model_16(4ZDK/B) = [5.0] Download1759.767.91MTKYIFVTGGVVSSLGKGIVAASLGRLLKNRGLNVTIQKFDPYINVDPGTMSPYQHGEVFVTDDGAETDLDLGHYERFIDINLNKFSNVTTGKIYSTVLKKERRGDYLGGTVQVIPHITNELKDRVYRAGKETNADVVITEIGGTVGDIESLPFLEAIRQMKSDIGRENVMYIHCTLVPYIKAAGELKTKPTQHSVKELRSLGIQPNIIVVRTEMPISQDMKDKIALFCDIDTKAVIECEDADNLYSIPLELQKQGLDKLVCEHMKLACKEAEMSEWKELVNKVSNLSQTITIGLVGKYVELPDAYISVVESLRHAGYAFDTDVKVKWINAEEVTENNIAELTSGTDGIIVPGGFGDRGVEGKIVATKYARENNIPFLGICLGMQVASIEYARNVLGLKGAHSAEIDPSTQYPIIDLLPEQKDVEDLGGTLRLGLYPCKLEEGTKAFEVYQDEVVYERHRHRYEFNNEFRQQMEEQGFVFSGTSPDGRLVEIIELKDHPWFVASQFHPEFKSRPTRPQPLFKGFIGASVEAANQK
Complex: ADP_B_5(3IHL) / Model_24(3IHL/B) = [5.7] Download1394.632.52MTKYIFVTGGVVSSLGKGIVAASLGRLLKNRGLNVTIQKFDPYINVDPGTMSPYQHGEVFVTDDGAETDLDLGHYERFIDINLNKFSNVTTGKIYSTVLKKERRGDYLGGTVQVIPHITNELKDRVYRAGKETNADVVITEIGGTVGDIESLPFLEAIRQMKSDIGRENVMYIHCTLVPYIKAAGELKTKPTQHSVKELRSLGIQPNIIVVRTEMPISQDMKDKIALFCDIDTKAVIECEDADNLYSIPLELQKQGLDKLVCEHMKLACKEAEMSEWKELVNKVSNLSQTITIGLVGKYVELPDAYISVVESLRHAGYAFDTDVKVKWINAEEVTENNIAELTSGTDGIIVPGGFGDRGVEGKIVATKYARENNIPFLGICLGMQVASIEYARNVLGLKGAHSAEIDPSTQYPIIDLLPEQKDVEDLGGTLRLGLYPCKLEEGTKAFEVYQDEVVYERHRHRYEFNNEFRQQMEEQGFVFSGTSPDGRLVEIIELKDHPWFVASQFHPEFKSRPTRPQPLFKGFIGASVEAANQK
Complex: ACP_A_4(4ZDK) / Model_1(4ZDK/A) = [5.8] Download1454.193.48MTKYIFVTGGVVSSLGKGIVAASLGRLLKNRGLNVTIQKFDPYINVDPGTMSPYQHGEVFVTDDGAETDLDLGHYERFIDINLNKFSNVTTGKIYSTVLKKERRGDYLGGTVQVIPHITNELKDRVYRAGKETNADVVITEIGGTVGDIESLPFLEAIRQMKSDIGRENVMYIHCTLVPYIKAAGELKTKPTQHSVKELRSLGIQPNIIVVRTEMPISQDMKDKIALFCDIDTKAVIECEDADNLYSIPLELQKQGLDKLVCEHMKLACKEAEMSEWKELVNKVSNLSQTITIGLVGKYVELPDAYISVVESLRHAGYAFDTDVKVKWINAEEVTENNIAELTSGTDGIIVPGGFGDRGVEGKIVATKYARENNIPFLGICLGMQVASIEYARNVLGLKGAHSAEIDPSTQYPIIDLLPEQKDVEDLGGTLRLGLYPCKLEEGTKAFEVYQDEVVYERHRHRYEFNNEFRQQMEEQGFVFSGTSPDGRLVEIIELKDHPWFVASQFHPEFKSRPTRPQPLFKGFIGASVEAANQK
Consensus
[pKd Mean = 5.10]
-1492
(s=135)
5
(s=2)
MTKYIFVTGGVVSSLGKGIVAASLGRLLKNRGLNVTIQKFDPYINVDPGTMSPYQHGEVFVTDDGAETDLDLGHYERFIDINLNKFSNVTTGKIYSTVLKKERRGDYLGGTVQVIPHITNELKDRVYRAGKETNADVVITEIGGTVGDIESLPFLEAIRQMKSDIGRENVMYIHCTLVPYIKAAGELKTKPTQHSVKELRSLGIQPNIIVVRTEMPISQDMKDKIALFCDIDTKAVIECEDADNLYSIPLELQKQGLDKLVCEHMKLACKEAEMSEWKELVNKVSNLSQTITIGLVGKYVELPDAYISVVESLRHAGYAFDTDVKVKWINAEEVTENNIAELTSGTDGIIVPGGFGDRGVEGKIVATKYARENNIPFLGICLGMQVASIEYARNVLGLKGAHSAEIDPSTQYPIIDLLPEQKDVEDLGGTLRLGLYPCKLEEGTKAFEVYQDEVVYERHRHRYEFNNEFRQQMEEQGFVFSGTSPDGRLVEIIELKDHPWFVASQFHPEFKSRPTRPQPLFKGFIGASVEAANQK