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 :C1_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 C1_S1
Complex: SUGAR_A_5(3AKH) / Model_6(3AKH/A) = [3.2] Download--MRKFVMMKTLYNNPIVRQRADPWVYKHTDGYYYFTGSVPGYQVIELRRAKSLNELEHAASLIVWQAHEEGPMSELIWAPEVHYINGKWYIYFAASNHKTIRDESHHHRMFVLENQHIDPMNTDWIEKGQIKTKRETFSLDGTTFSSQGKLYYVWAQQDPEITGNSNLYLSEMDNPWTLKGKQILLSIPEYEWEKRGFSVNEGPAVLTRNGKIFITYSGSATDENYAMGLLWADEHKNLLLKESWHKLSEPVFVSSEKNKQFGPGHNSFTVSEDGCFDILIYHARPEKNQKGDPLDNPNRHANAQCFTWNEQGFPEFGEPVPYAL
Consensus
[pKd Mean = 3.20]		-0
(s=0)		0
(s=0)		MRKFVMMKTLYNNPIVRQRADPWVYKHTDGYYYFTGSVPGYQVIELRRAKSLNELEHAASLIVWQAHEEGPMSELIWAPEVHYINGKWYIYFAASNHKTIRDESHHHRMFVLENQHIDPMNTDWIEKGQIKTKRETFSLDGTTFSSQGKLYYVWAQQDPEITGNSNLYLSEMDNPWTLKGKQILLSIPEYEWEKRGFSVNEGPAVLTRNGKIFITYSGSATDENYAMGLLWADEHKNLLLKESWHKLSEPVFVSSEKNKQFGPGHNSFTVSEDGCFDILIYHARPEKNQKGDPLDNPNRHANAQCFTWNEQGFPEFGEPVPYAL



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]
ASP21OD2111[O],
ASP21OD1111[O],
LEU75CD1212[C],
TRP77CD1211[O], 1[C],
TRP77CE2412[C], 2[O],
TRP77CZ2715[C], 2[O],
TRP77CE3713[O], 4[C],
TRP77NE1211[O], 1[C],
TRP77CD2412[O], 2[C],
TRP77CG211[C], 1[O],
TRP77CZ31416[O], 8[C],
ILE100CG2111[O],
HIS105NE2915[C], 4[O],
HIS105CG1015[C], 5[O],
HIS105CE11317[C], 6[O],
HIS105CD2915[C], 4[O],
HIS105ND11416[O], 8[C],
HIS107CG513[C], 2[O],
HIS107CD2111[C],
HIS107CE11117[C], 4[O],
HIS107ND11016[C], 4[O],
HIS107NE2413[C], 1[O],
PHE137CD21717[O], 10[C],
PHE137CG1416[O], 8[C],
PHE137CE21818[O], 10[C],
PHE137CE118110[C], 8[O],
PHE137CD11619[C], 7[O],
PHE137CZ19110[C], 9[O],
LEU139CG613[O], 3[C],
LEU139CD2613[O], 3[C],
LEU139CD1914[O], 5[C],
ASP140CG211[C], 1[O],
ASP140OD2513[C], 2[O],
ASP140OD1211[C], 1[O],
GLN157CG111[O],
GLN157OE1412[C], 2[O],
GLN157NE2211[O], 1[C],
GLN157CD311[C], 2[O],
ASN164CG19110[C], 9[O],
ASN164OD118110[C], 8[O],
ASN164ND219110[C], 9[O],
SER165OG211[C], 1[O],
PHE197CD219110[C], 9[O],
PHE197CZ16110[C], 6[O],
PHE197CE11518[C], 7[O],
PHE197CE218110[C], 8[O],
PHE197CD11517[O], 8[C],
PHE197CG17110[C], 7[O],
VAL199CG11015[O], 5[C],
VAL199CG21317[C], 6[O],
GLU201OE11015[O], 5[C],
GLU201OE21015[O], 5[C],
GLU201CG814[O], 4[C],
GLU201CD1015[O], 5[C],
THR221OG1914[O], 5[C],
THR221CG21015[C], 5[O],
TYR225CE1614[C], 2[O],
TYR225CE2111[O],
TYR225CZ412[C], 2[O],
TYR225CG111[O],
TYR225CD1412[C], 2[O],
HIS265CD2111[O],
HIS265NE2111[O],
LEU294CD1211[C], 1[O],
LEU294CG614[C], 2[O],
LEU294CD2614[C], 2[O],
ARG299CZ111[O],
Total = 67



Download csv file of statistical distribution of contacts