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 :C3_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 C3_S1
Complex: 3OH_B_4(3S8H) / Model_69(3S8H/B) = [3.5] Download286.459.27MSYQDLKECKIITAFITPFHEDGSINFDAIPALIEHLLDHHTDGILLAGTTAESPTLTHDEELELFAAVQKIVNGRVPLIAGVGTNDTRDSIEFVKEVAEFGGFAAGLAIVPYYNKPSQEGMYQHFKAIADASDLPIIIYNIPGRVVVELTPETMLRLADHPNIIGVKECTSLANMAYLIEHKPEEFLVYTGEDGDAFHAMNLGADGVISVASHTNGDEMHEMFIAIAESDVKKAAAIQRKFIPKVNALFSYPSPAPVKAVLNYMGFEAGPTRLPLVPAPEEDAKRIIKVVVDGDYEATKATVTGVLRPDY
Consensus
[pKd Mean = 3.50]		-286
(s=0)		9
(s=0)		MSYQDLKECKIITAFITPFHEDGSINFDAIPALIEHLLDHHTDGILLAGTTAESPTLTHDEELELFAAVQKIVNGRVPLIAGVGTNDTRDSIEFVKEVAEFGGFAAGLAIVPYYNKPSQEGMYQHFKAIADASDLPIIIYNIPGRVVVELTPETMLRLADHPNIIGVKECTSLANMAYLIEHKPEEFLVYTGEDGDAFHAMNLGADGVISVASHTNGDEMHEMFIAIAESDVKKAAAIQRKFIPKVNALFSYPSPAPVKAVLNYMGFEAGPTRLPLVPAPEEDAKRIIKVVVDGDYEATKATVTGVLRPDY



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]
LEU46CD2211[O], 1[C],
THR50OG1613[C], 3[O],
THR50CG2613[C], 3[O],
THR51OG1613[O], 3[C],
THR51CG2512[O], 3[C],
LEU108CD2211[O], 1[C],
ILE110CD1211[O], 1[C],
ILE110CG1111[O],
TYR140CG512[O], 3[C],
TYR140CZ613[O], 3[C],
TYR140CE1613[O], 3[C],
TYR140CE2613[O], 3[C],
TYR140CD1613[C], 3[O],
TYR140CD2513[C], 2[O],
ILE142CG1613[C], 3[O],
ILE142CD1613[C], 3[O],
ILE142CG2613[O], 3[C],
ARG145NE613[C], 3[O],
ARG145CG412[O], 2[C],
ARG145CZ512[O], 3[C],
ARG145CD512[O], 3[C],
LYS168CD512[O], 3[C],
LYS168NZ613[C], 3[O],
LYS168CE613[O], 3[C],
LYS168CG512[O], 3[C],
CYS170SG613[C], 3[O],
THR191CG2211[O], 1[C],
GLU193OE1613[C], 3[O],
GLU193OE2613[O], 3[C],
GLU193CD613[O], 3[C],
ASP194CG312[C], 1[O],
ASP194OD2512[O], 3[C],
ASP194OD1311[O], 2[C],
VAL208CG1211[C], 1[O],
ILE209CG2311[O], 2[C],
ILE209CD1111[O],
ILE209CG1211[O], 1[C],
SER210OG111[O],
VAL211CG2613[O], 3[C],
VAL211CG1513[C], 2[O],
HIS214ND1111[O],
HIS214NE2111[O],
HIS214CE1312[C], 1[O],
PHE250CE1613[O], 3[C],
PHE250CG312[C], 1[O],
PHE250CD1613[C], 3[O],
PHE250CD2513[C], 2[O],
PHE250CZ613[O], 3[C],
PHE250CE2613[C], 3[O],
SER254OG613[O], 3[C],
PRO255CD211[C], 1[O],
Total = 51



Download csv file of statistical distribution of contacts