Binding Site Information :
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Information extracted from the bests complexes created by comparative docking.



Prediction Binding Site :


Binding Site Prediction
[Download fasta file] - [Download text file]

Binding Site Number :C4_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C4_S1
Complex: DUP_B_8(4OOP) / Model_99(4OOP/B) = [4.5] Download104.10-1.50MKIRGFELVSSFTDENLLPKRETAHAAGYDLKVAVRTVVAPGEIVLVPTGVKAYMQPTEVLYLYDRSSNPRKKGLVLINSVGVIDGDYYGNPGNEGHIFAQMKNITDQEVVLEVGERIVQAVFATFLIADGDAADGVRTGGFGSTGH
Consensus
[pKd Mean = 4.50]		-104
(s=0)		-1
(s=0)		MKIRGFELVSSFTDENLLPKRETAHAAGYDLKVAVRTVVAPGEIVLVPTGVKAYMQPTEVLYLYDRSSNPRKKGLVLINSVGVIDGDYYGNPGNEGHIFAQMKNITDQEVVLEVGERIVQAVFATFLIADGDAADGVRTGGFGSTGH



Statistical distribution of contacts between receptors and ligands in all complexes :
(only contacts < 8A are taken into consideration)


Res_NameRes_NumRes_AtNb_ContactsNb_ComplexesNb[At_Ligand]
ARG138NE1913[P], 10[O], 1[N], 5[C],
ARG138CZ2213[P], 11[O], 2[N], 6[C],
ARG138CD1615[C], 8[O], 1[N], 2[P],
ARG138CG1317[O], 1[P], 5[C],
PHE142CD12212[P], 8[O], 3[N], 9[C],
PHE142CZ1719[C], 3[N], 4[O], 1[P],
PHE142CE12119[C], 2[P], 3[N], 7[O],
PHE142CE22019[C], 1[P], 3[N], 7[O],
PHE142CD22318[O], 3[N], 3[P], 9[C],
PHE142CG2313[N], 8[O], 3[P], 9[C],
SER144OG1713[C], 3[P], 1[N], 10[O],
THR145OG11313[P], 8[O], 1[N], 1[C],
THR145CG21311[C], 8[O], 1[N], 3[P],
Total = 13



Download csv file of statistical distribution of contacts