Study : Lmo0315 (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: HMH_A_3(1TO9) / Model_4(1TO9/A) = [3.1] Download356.5951.44VFIHGFQEEVGNLWQETLRHPFVRSLADGTLEKEAFYYYLLQDDYYLSHFEKVIEKSVEQAGTAELAAEMREVQVRLQQSELLMREQFYPRVGLTERDFSERKPAPTAYHYTSHLHRMVDFGSFGVTIAALLPCYALYADIGKMYEGARSSEPFYQELLDSYVDENYQKVVLQQKRLVEQAASMADARELALMKQAFQISVEMEWAFFDMAYKKQNWRGSVNYV
Complex: HMH_A_5(2GM8) / Model_7(2GM8/A) = [3.1] Download470.1849.50VFIHGFQEEVGNLWQETLRHPFVRSLADGTLEKEAFYYYLLQDDYYLSHFEKVIEKSVEQAGTAELAAEMREVQVRLQQSELLMREQFYPRVGLTERDFSERKPAPTAYHYTSHLHRMVDFGSFGVTIAALLPCYALYADIGKMYEGARSSEPFYQELLDSYVDENYQKVVLQQKRLVEQAASMADARELALMKQAFQISVEMEWAFFDMAYKKQNWRGSVNYV
Complex: HMH_M_13(1YAK) / Model_23(1YAK/B) = [3.2] Download310.0946.43VFIHGFQEEVGNLWQETLRHPFVRSLADGTLEKEAFYYYLLQDDYYLSHFEKVIEKSVEQAGTAELAAEMREVQVRLQQSELLMREQFYPRVGLTERDFSERKPAPTAYHYTSHLHRMVDFGSFGVTIAALLPCYALYADIGKMYEGARSSEPFYQELLDSYVDENYQKVVLQQKRLVEQAASMADARELALMKQAFQISVEMEWAFFDMAYKKQNWRGSVNYV
Complex: HMH_K_11(1YAK) / Model_21(1YAK/D) = [3.4] Download286.8846.60VFIHGFQEEVGNLWQETLRHPFVRSLADGTLEKEAFYYYLLQDDYYLSHFEKVIEKSVEQAGTAELAAEMREVQVRLQQSELLMREQFYPRVGLTERDFSERKPAPTAYHYTSHLHRMVDFGSFGVTIAALLPCYALYADIGKMYEGARSSEPFYQELLDSYVDENYQKVVLQQKRLVEQAASMADARELALMKQAFQISVEMEWAFFDMAYKKQNWRGSVNYV
Complex: HMH_I_9(1YAK) / Model_2(1YAK/A) = [3.4] Download321.0246.60VFIHGFQEEVGNLWQETLRHPFVRSLADGTLEKEAFYYYLLQDDYYLSHFEKVIEKSVEQAGTAELAAEMREVQVRLQQSELLMREQFYPRVGLTERDFSERKPAPTAYHYTSHLHRMVDFGSFGVTIAALLPCYALYADIGKMYEGARSSEPFYQELLDSYVDENYQKVVLQQKRLVEQAASMADARELALMKQAFQISVEMEWAFFDMAYKKQNWRGSVNYV
Consensus
[pKd Mean = 3.24]
-348
(s=64)
48
(s=2)
VFIHGFQEEVGNLWQETLRHPFVRSLADGTLEKEAFYYYLLQDDYYLSHFEKVIEKSVEQAGTAELAAEMREVQVRLQQSELLMREQFYPRVGLTERDFSERKPAPTAYHYTSHLHRMVDFGSFGVTIAALLPCYALYADIGKMYEGARSSEPFYQELLDSYVDENYQKVVLQQKRLVEQAASMADARELALMKQAFQISVEMEWAFFDMAYKKQNWRGSVNYV