Study : Lmo0922 (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: MV2_A_2(3AVP) / Model_53(3AVP/A) = [3.4] Download780.7233.35MNDYNHYFHFPREEWRKLEVSKDQILTAEELEEIRGLNDRISLQDISEIYLPLIKLIAIQYHEAIFIHGEKMEYLKKKESRAPFIIALAGSVAVGKSTTARVFKLMLDRWFSKTRQVELVTTDGFLYPNKVLEERGIMDKKGFPESYDRDRFAKFLTDLKANKEDVEIPLYSHFTYDVLDETRVIHNPDIVIIEGINVLQADQHESLFPSDFFDFSVYMDANEADIKKWYLERFFMLRETAFQDESSYFHPYTKISKQEAETFALGVWDTINGVNLKENIEKTKYRADLVLQKGTDHLISDIYLRK
Complex: ACP_A_2(2ZSE) / Model_18(2ZSE/A) = [4.0] Download1237.8316.00MNDYNHYFHFPREEWRKLEVSKDQILTAEELEEIRGLNDRISLQDISEIYLPLIKLIAIQYHEAIFIHGEKMEYLKKKESRAPFIIALAGSVAVGKSTTARVFKLMLDRWFSKTRQVELVTTDGFLYPNKVLEERGIMDKKGFPESYDRDRFAKFLTDLKANKEDVEIPLYSHFTYDVLDETRVIHNPDIVIIEGINVLQADQHESLFPSDFFDFSVYMDANEADIKKWYLERFFMLRETAFQDESSYFHPYTKISKQEAETFALGVWDTINGVNLKENIEKTKYRADLVLQKGTDHLISDIYLRK
Complex: MV1_A_2(3AVQ) / Model_11(3AVQ/A) = [5.0] Download909.0730.54MNDYNHYFHFPREEWRKLEVSKDQILTAEELEEIRGLNDRISLQDISEIYLPLIKLIAIQYHEAIFIHGEKMEYLKKKESRAPFIIALAGSVAVGKSTTARVFKLMLDRWFSKTRQVELVTTDGFLYPNKVLEERGIMDKKGFPESYDRDRFAKFLTDLKANKEDVEIPLYSHFTYDVLDETRVIHNPDIVIIEGINVLQADQHESLFPSDFFDFSVYMDANEADIKKWYLERFFMLRETAFQDESSYFHPYTKISKQEAETFALGVWDTINGVNLKENIEKTKYRADLVLQKGTDHLISDIYLRK
Complex: GCP_A_2(3AF3) / Model_55(3AF3/A) = [5.7] Download1396.4514.45MNDYNHYFHFPREEWRKLEVSKDQILTAEELEEIRGLNDRISLQDISEIYLPLIKLIAIQYHEAIFIHGEKMEYLKKKESRAPFIIALAGSVAVGKSTTARVFKLMLDRWFSKTRQVELVTTDGFLYPNKVLEERGIMDKKGFPESYDRDRFAKFLTDLKANKEDVEIPLYSHFTYDVLDETRVIHNPDIVIIEGINVLQADQHESLFPSDFFDFSVYMDANEADIKKWYLERFFMLRETAFQDESSYFHPYTKISKQEAETFALGVWDTINGVNLKENIEKTKYRADLVLQKGTDHLISDIYLRK
Complex: ATP_A_2(2ZSF) / Model_19(2ZSF/A) = [5.9] Download1477.1019.07MNDYNHYFHFPREEWRKLEVSKDQILTAEELEEIRGLNDRISLQDISEIYLPLIKLIAIQYHEAIFIHGEKMEYLKKKESRAPFIIALAGSVAVGKSTTARVFKLMLDRWFSKTRQVELVTTDGFLYPNKVLEERGIMDKKGFPESYDRDRFAKFLTDLKANKEDVEIPLYSHFTYDVLDETRVIHNPDIVIIEGINVLQADQHESLFPSDFFDFSVYMDANEADIKKWYLERFFMLRETAFQDESSYFHPYTKISKQEAETFALGVWDTINGVNLKENIEKTKYRADLVLQKGTDHLISDIYLRK
Consensus
[pKd Mean = 4.80]
-1160
(s=271)
22
(s=7)
MNDYNHYFHFPREEWRKLEVSKDQILTAEELEEIRGLNDRISLQDISEIYLPLIKLIAIQYHEAIFIHGEKMEYLKKKESRAPFIIALAGSVAVGKSTTARVFKLMLDRWFSKTRQVELVTTDGFLYPNKVLEERGIMDKKGFPESYDRDRFAKFLTDLKANKEDVEIPLYSHFTYDVLDETRVIHNPDIVIIEGINVLQADQHESLFPSDFFDFSVYMDANEADIKKWYLERFFMLRETAFQDESSYFHPYTKISKQEAETFALGVWDTINGVNLKENIEKTKYRADLVLQKGTDHLISDIYLRK