Study : jhp_0030 (atomeDB@cbs.cnrs.fr)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C1_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 C1_S1
Complex: NSN_A_9(1UHE) / Model_2(1UHE/A) = [3.5] Download460.2825.36MTFEMLYSKIHRATITDANLNYIGSITIDEDLAKLAKLREGMKVEIVDVNNGERFSTYVILGKKRGKICVNGAAARKVAIGDVVIILAYASMNEDEINTHKPSIVLVDEKNEILEKG
Complex: FMR_B_4(2EEO) / Model_14(2EEO/B) = [3.9] Download611.2118.20MTFEMLYSKIHRATITDANLNYIGSITIDEDLAKLAKLREGMKVEIVDVNNGERFSTYVILGKKRGKICVNGAAARKVAIGDVVIILAYASMNEDEINTHKPSIVLVDEKNEILEKG
Complex: CHAIN_B_1(1UHD) / Model_1(1UHD/A) = [16.7] Download--MTFEMLYSKIHRATITDANLNYIGSITIDEDLAKLAKLREGMKVEIVDVNNGERFSTYVILGKKRGKICVNGAAARKVAIGDVVIILAYASMNEDEINTHKPSIVLVDEKNEILEKG
Complex: CHAIN_B_1(1UHE) / Model_2(1UHE/A) = [20.2] Download--MTFEMLYSKIHRATITDANLNYIGSITIDEDLAKLAKLREGMKVEIVDVNNGERFSTYVILGKKRGKICVNGAAARKVAIGDVVIILAYASMNEDEINTHKPSIVLVDEKNEILEKG
Complex: CHAIN_B_1(1UHE) / Model_53(1UHE/A) = [20.2] Download--MTFEMLYSKIHRATITDANLNYIGSITIDEDLAKLAKLREGMKVEIVDVNNGERFSTYVILGKKRGKICVNGAAARKVAIGDVVIILAYASMNEDEINTHKPSIVLVDEKNEILEKG
Consensus
[pKd Mean = 12.90]
-535
(s=75)
21
(s=3)
MTFEMLYSKIHRATITDANLNYIGSITIDEDLAKLAKLREGMKVEIVDVNNGERFSTYVILGKKRGKICVNGAAARKVAIGDVVIILAYASMNEDEINTHKPSIVLVDEKNEILEKG