Study : bsu17640 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_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 C2_S1
Complex: ALA_A_4(4Y2W) / Model_29(4Y2W/B) = [3.2] Download10085.1625.57MIKLCREVWIEVNLDAVKKNLRAIRRHIPHKSKIMAVVKANGYGHGSIEVARHALEHGASELAVASVEEGIVLRKAGITAPILVLGFTSLSCVKKSAAWNITLSAFQVDWMKEANEILEKEASANRLAIHINVDTGMGRLGVRTKEELLEVVKALKASKFLRWTGIFTHFSTADEPDTTLTKLQHEKFISFLSFLKKQGIELPTVHMCNTAAAIAFPEFSADMIRLGIGLYGLYPSAYIKQLNLVKLEPALSLKARIAYVKTMRTEPRTVSYGATYIAEPNEVIATLPIGYADGYSRALSNRGFVLHRGKRVPVAGRVTMDMIMVSLGENGEGKQGDEVVIYGKQKGAEISVDEVAEMLNTINYEVVSTLSRRIPRFYIRDGEIFKVSTPVLYV
Complex: PLP_C_10(3E5P) / Model_27(3E5P/C) = [3.2] Download578.8221.47MIKLCREVWIEVNLDAVKKNLRAIRRHIPHKSKIMAVVKANGYGHGSIEVARHALEHGASELAVASVEEGIVLRKAGITAPILVLGFTSLSCVKKSAAWNITLSAFQVDWMKEANEILEKEASANRLAIHINVDTGMGRLGVRTKEELLEVVKALKASKFLRWTGIFTHFSTADEPDTTLTKLQHEKFISFLSFLKKQGIELPTVHMCNTAAAIAFPEFSADMIRLGIGLYGLYPSAYIKQLNLVKLEPALSLKARIAYVKTMRTEPRTVSYGATYIAEPNEVIATLPIGYADGYSRALSNRGFVLHRGKRVPVAGRVTMDMIMVSLGENGEGKQGDEVVIYGKQKGAEISVDEVAEMLNTINYEVVSTLSRRIPRFYIRDGEIFKVSTPVLYV
Complex: ALA_B_6(4Y2W) / Model_13(4Y2W/A) = [3.3] Download11192.3624.43MIKLCREVWIEVNLDAVKKNLRAIRRHIPHKSKIMAVVKANGYGHGSIEVARHALEHGASELAVASVEEGIVLRKAGITAPILVLGFTSLSCVKKSAAWNITLSAFQVDWMKEANEILEKEASANRLAIHINVDTGMGRLGVRTKEELLEVVKALKASKFLRWTGIFTHFSTADEPDTTLTKLQHEKFISFLSFLKKQGIELPTVHMCNTAAAIAFPEFSADMIRLGIGLYGLYPSAYIKQLNLVKLEPALSLKARIAYVKTMRTEPRTVSYGATYIAEPNEVIATLPIGYADGYSRALSNRGFVLHRGKRVPVAGRVTMDMIMVSLGENGEGKQGDEVVIYGKQKGAEISVDEVAEMLNTINYEVVSTLSRRIPRFYIRDGEIFKVSTPVLYV
Complex: ALA_B_6(4Y2W) / Model_51(4Y2W/A) = [3.3] Download12862.5923.35MIKLCREVWIEVNLDAVKKNLRAIRRHIPHKSKIMAVVKANGYGHGSIEVARHALEHGASELAVASVEEGIVLRKAGITAPILVLGFTSLSCVKKSAAWNITLSAFQVDWMKEANEILEKEASANRLAIHINVDTGMGRLGVRTKEELLEVVKALKASKFLRWTGIFTHFSTADEPDTTLTKLQHEKFISFLSFLKKQGIELPTVHMCNTAAAIAFPEFSADMIRLGIGLYGLYPSAYIKQLNLVKLEPALSLKARIAYVKTMRTEPRTVSYGATYIAEPNEVIATLPIGYADGYSRALSNRGFVLHRGKRVPVAGRVTMDMIMVSLGENGEGKQGDEVVIYGKQKGAEISVDEVAEMLNTINYEVVSTLSRRIPRFYIRDGEIFKVSTPVLYV
Complex: PLP_A_3(1XFC) / Model_14(1XFC/A) = [3.6] Download637.9628.77MIKLCREVWIEVNLDAVKKNLRAIRRHIPHKSKIMAVVKANGYGHGSIEVARHALEHGASELAVASVEEGIVLRKAGITAPILVLGFTSLSCVKKSAAWNITLSAFQVDWMKEANEILEKEASANRLAIHINVDTGMGRLGVRTKEELLEVVKALKASKFLRWTGIFTHFSTADEPDTTLTKLQHEKFISFLSFLKKQGIELPTVHMCNTAAAIAFPEFSADMIRLGIGLYGLYPSAYIKQLNLVKLEPALSLKARIAYVKTMRTEPRTVSYGATYIAEPNEVIATLPIGYADGYSRALSNRGFVLHRGKRVPVAGRVTMDMIMVSLGENGEGKQGDEVVIYGKQKGAEISVDEVAEMLNTINYEVVSTLSRRIPRFYIRDGEIFKVSTPVLYV
Consensus
[pKd Mean = 3.32]		-7071
(s=5350)		24
(s=2)		MIKLCREVWIEVNLDAVKKNLRAIRRHIPHKSKIMAVVKANGYGHGSIEVARHALEHGASELAVASVEEGIVLRKAGITAPILVLGFTSLSCVKKSAAWNITLSAFQVDWMKEANEILEKEASANRLAIHINVDTGMGRLGVRTKEELLEVVKALKASKFLRWTGIFTHFSTADEPDTTLTKLQHEKFISFLSFLKKQGIELPTVHMCNTAAAIAFPEFSADMIRLGIGLYGLYPSAYIKQLNLVKLEPALSLKARIAYVKTMRTEPRTVSYGATYIAEPNEVIATLPIGYADGYSRALSNRGFVLHRGKRVPVAGRVTMDMIMVSLGENGEGKQGDEVVIYGKQKGAEISVDEVAEMLNTINYEVVSTLSRRIPRFYIRDGEIFKVSTPVLYV