Study : Lmo1942 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C7_S1
Complex: CHAIN_Q_5(2WWY) / Model_11(2WWY/A) = [3.7] Download--VNLEKELKEYLGFDEFRPGQKEVIETALAKQNCFAMLPTGTGKTICYQLAGHLMDGLVLIVSPLLSLMQDQMERMRAHGEKRVAALNSFLKREEKGQILASIHSYKFIFLSPEMLNNETVKNLLLKQKISLFVIDEAHCISQWGHDFRPDYLMLGRFIQEAKFPVTMVLTATATKKVRADILTQLHLTDCAQIVYSVNRPNISLQVEKFSNQHVKKDRLYELVRKLQTPGIIYFSSKKLAESTAHELSEIAELRVAYYHGDMDTEDRIIIQQQFVYGQLDVICATSAFGMGIDKADIRYVIHYHMPADLEAYLQEIGRAGRDGEDSVAILLYANGDEFIQMQLADQDIPDANLMNLTTEQRKTLPETEQRFIDYYQRSGLSTKELTDKMDYRKKWKRANLQQFIGYLHTTDCRRNYILRYFEEAPLEVTPENCCDLDGAEIINFEKRAKIKQKEIPTWEAYLAYLLQ
Complex: CHAIN_T_8(2WWY) / Model_27(2WWY/B) = [4.1] Download--VNLEKELKEYLGFDEFRPGQKEVIETALAKQNCFAMLPTGTGKTICYQLAGHLMDGLVLIVSPLLSLMQDQMERMRAHGEKRVAALNSFLKREEKGQILASIHSYKFIFLSPEMLNNETVKNLLLKQKISLFVIDEAHCISQWGHDFRPDYLMLGRFIQEAKFPVTMVLTATATKKVRADILTQLHLTDCAQIVYSVNRPNISLQVEKFSNQHVKKDRLYELVRKLQTPGIIYFSSKKLAESTAHELSEIAELRVAYYHGDMDTEDRIIIQQQFVYGQLDVICATSAFGMGIDKADIRYVIHYHMPADLEAYLQEIGRAGRDGEDSVAILLYANGDEFIQMQLADQDIPDANLMNLTTEQRKTLPETEQRFIDYYQRSGLSTKELTDKMDYRKKWKRANLQQFIGYLHTTDCRRNYILRYFEEAPLEVTPENCCDLDGAEIINFEKRAKIKQKEIPTWEAYLAYLLQ
Consensus
[pKd Mean = 3.90]
-0
(s=0)
0
(s=0)
VNLEKELKEYLGFDEFRPGQKEVIETALAKQNCFAMLPTGTGKTICYQLAGHLMDGLVLIVSPLLSLMQDQMERMRAHGEKRVAALNSFLKREEKGQILASIHSYKFIFLSPEMLNNETVKNLLLKQKISLFVIDEAHCISQWGHDFRPDYLMLGRFIQEAKFPVTMVLTATATKKVRADILTQLHLTDCAQIVYSVNRPNISLQVEKFSNQHVKKDRLYELVRKLQTPGIIYFSSKKLAESTAHELSEIAELRVAYYHGDMDTEDRIIIQQQFVYGQLDVICATSAFGMGIDKADIRYVIHYHMPADLEAYLQEIGRAGRDGEDSVAILLYANGDEFIQMQLADQDIPDANLMNLTTEQRKTLPETEQRFIDYYQRSGLSTKELTDKMDYRKKWKRANLQQFIGYLHTTDCRRNYILRYFEEAPLEVTPENCCDLDGAEIINFEKRAKIKQKEIPTWEAYLAYLLQ