Study : bsu03770 (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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: GOL_A_5(3Q15) / Model_47(3Q15/A) = [3.5] Download705.3613.50MKSGVIPSSAVGQKINEWYRYIRTFSVPDAEVLKAEIQQELKHMQHDSNLLLYYSLMEFRHQLMLDYLEPLEKLNIEDQPSLSELSRNIDSNQADLKGLLDYYVNFFRGMYEFDKREFISAITYYKQAEKKLSFVADHIERAEFYFKIAEAYYYMKQTYFSLINIKNAYEIYVEQETYNVRIIQCHFVFGVNLMDERNFEQAARHFKLALNMAQAEQKAQLVGRAYYNLGLCYYNQDLLDPAIDYFEKAVSTFESSRIVNSLPQAYFLITLIYYKQGKHDKASEYHKRGYEYAKETDDADYAVKFEFLQSLYLDQPNEEGIERCFQYLKNKNMYADIEDLALEVAKYYYEQKWFKLSASYFLQVEEARKQIQRSEGLYEIEI
Complex: CHAIN_C_2(4I9C) / Model_2(4I9C/A) = [7.9] Download--MKSGVIPSSAVGQKINEWYRYIRTFSVPDAEVLKAEIQQELKHMQHDSNLLLYYSLMEFRHQLMLDYLEPLEKLNIEDQPSLSELSRNIDSNQADLKGLLDYYVNFFRGMYEFDKREFISAITYYKQAEKKLSFVADHIERAEFYFKIAEAYYYMKQTYFSLINIKNAYEIYVEQETYNVRIIQCHFVFGVNLMDERNFEQAARHFKLALNMAQAEQKAQLVGRAYYNLGLCYYNQDLLDPAIDYFEKAVSTFESSRIVNSLPQAYFLITLIYYKQGKHDKASEYHKRGYEYAKETDDADYAVKFEFLQSLYLDQPNEEGIERCFQYLKNKNMYADIEDLALEVAKYYYEQKWFKLSASYFLQVEEARKQIQRSEGLYEIEI
Complex: CHAIN_C_3(4GYO) / Model_23(4GYO/B) = [9.0] Download--MKSGVIPSSAVGQKINEWYRYIRTFSVPDAEVLKAEIQQELKHMQHDSNLLLYYSLMEFRHQLMLDYLEPLEKLNIEDQPSLSELSRNIDSNQADLKGLLDYYVNFFRGMYEFDKREFISAITYYKQAEKKLSFVADHIERAEFYFKIAEAYYYMKQTYFSLINIKNAYEIYVEQETYNVRIIQCHFVFGVNLMDERNFEQAARHFKLALNMAQAEQKAQLVGRAYYNLGLCYYNQDLLDPAIDYFEKAVSTFESSRIVNSLPQAYFLITLIYYKQGKHDKASEYHKRGYEYAKETDDADYAVKFEFLQSLYLDQPNEEGIERCFQYLKNKNMYADIEDLALEVAKYYYEQKWFKLSASYFLQVEEARKQIQRSEGLYEIEI
Consensus
[pKd Mean = 6.80]
-705
(s=0)
13
(s=0)
MKSGVIPSSAVGQKINEWYRYIRTFSVPDAEVLKAEIQQELKHMQHDSNLLLYYSLMEFRHQLMLDYLEPLEKLNIEDQPSLSELSRNIDSNQADLKGLLDYYVNFFRGMYEFDKREFISAITYYKQAEKKLSFVADHIERAEFYFKIAEAYYYMKQTYFSLINIKNAYEIYVEQETYNVRIIQCHFVFGVNLMDERNFEQAARHFKLALNMAQAEQKAQLVGRAYYNLGLCYYNQDLLDPAIDYFEKAVSTFESSRIVNSLPQAYFLITLIYYKQGKHDKASEYHKRGYEYAKETDDADYAVKFEFLQSLYLDQPNEEGIERCFQYLKNKNMYADIEDLALEVAKYYYEQKWFKLSASYFLQVEEARKQIQRSEGLYEIEI