Study : bsu29700 (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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: AMP_A_3(3KH5) / Model_2(3KH5/A) = [3.4] Download677.49-0.27MIVEQIMKRDVITLTKTDTLETAICKLKEFHIRHLPVVDEERHVIGMITDRDMKQASPSIFEENKRSLFLTRSVDSIMKKDVVCAHPLDFVEEISAVFYEHGIGCLPVVHHQKLIGILTKTDLLRTFVKLTGADQPGSQIEIKVNDITKSLAEISSLCQDLQVKILSVLVYPHDDPGVKVLVFRVKTMNPLPFLQALQRNGHHVVWPSEQRDLL
Complex: ATP_A_4(3LFZ) / Model_3(3LFZ/A) = [4.3] Download981.48-1.62MIVEQIMKRDVITLTKTDTLETAICKLKEFHIRHLPVVDEERHVIGMITDRDMKQASPSIFEENKRSLFLTRSVDSIMKKDVVCAHPLDFVEEISAVFYEHGIGCLPVVHHQKLIGILTKTDLLRTFVKLTGADQPGSQIEIKVNDITKSLAEISSLCQDLQVKILSVLVYPHDDPGVKVLVFRVKTMNPLPFLQALQRNGHHVVWPSEQRDLL
Consensus
[pKd Mean = 3.85]
-829
(s=151)
0
(s=1)
MIVEQIMKRDVITLTKTDTLETAICKLKEFHIRHLPVVDEERHVIGMITDRDMKQASPSIFEENKRSLFLTRSVDSIMKKDVVCAHPLDFVEEISAVFYEHGIGCLPVVHHQKLIGILTKTDLLRTFVKLTGADQPGSQIEIKVNDITKSLAEISSLCQDLQVKILSVLVYPHDDPGVKVLVFRVKTMNPLPFLQALQRNGHHVVWPSEQRDLL