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 :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: ATP_B_11(4C5C) / Model_37(4C5C/B) = [8.4] Download698.6425.69MSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVNYDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKETDLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA
Complex: AMP_B_11(5BPH) / Model_30(5BPH/B) = [6.6] Download546.6320.24MSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVNYDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKETDLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA
Complex: ADP_D_18(5BPF) / Model_31(5BPF/D) = [5.7] Download855.8529.50MSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVNYDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKETDLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA
Complex: ANP_B_8(5C1O) / Model_27(5C1O/B) = [5.1] Download1287.4813.16MSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVNYDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKETDLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA
Consensus
[pKd Mean = 6.45]		-847
(s=276)		22
(s=6)		MSNATKFGKVAVLLGGKSAERAVSLDSGQAVLDALLRSGVQAEAFDPQDRSVTELVNYDRAFIVLHGRGGEDGQIQGVLEWLNIPYTGTGVQGSAIGMDKVKTKQIWQGSDLPTAPYRIITKETDLDSVIAELGLPVIIKPVHEGSSVGMSKVEKAEDFAAAIEKATQHDAVVMAEKWITGREFTISFLNGQPLPVIRLQPPADVAFYDYEAKYQRNDVEYGIPCGLSETEEKKLQALCLRAFQAVGAEGWGRIDAMQDEQGNFWLLEVNTVPGMTSHSLVPKATKAVGYSFDELCVAILEQTLEGTA



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]
GLU20CD947[O], 2[P],
GLU20CB242[O],
GLU20OE2846[O], 2[P],
GLU20CG544[O], 1[P],
GLU20OE11148[O], 3[P],
VAL23CG2141[O],
VAL23CG1141[O],
HIS66ND1141[O],
HIS66CG242[O],
HIS66CB242[O],
GLY67N141[O],
GLU71OE2441[P], 3[O],
GLU71OE1342[O], 1[P],
GLU71CD141[O],
GLY97O747[O],
MET98CE343[O],
MET98C242[O],
MET98CA141[O],
MET98O444[O],
LYS100N343[O],
LYS100C242[O],
LYS100NZ53410[C], 32[O], 9[P], 2[N],
LYS100CA1048[O], 2[P],
LYS100CE53431[O], 10[C], 3[N], 9[P],
LYS100O242[O],
LYS100CB25418[O], 7[P],
LYS100CD4848[C], 27[O], 8[P], 5[N],
LYS100CG33424[O], 1[C], 1[N], 7[P],
THR103OG1141[O],
LYS104CG242[O],
LYS104CD242[O],
LYS104CE1745[O], 2[C], 2[P], 8[N],
LYS104NZ2247[C], 6[O], 1[P], 8[N],
THR114C141[N],
ALA115CB25413[C], 12[N],
ALA115C541[C], 4[N],
ALA115O444[N],
ALA115CA1345[C], 8[N],
ALA115N844[N], 4[C],
PRO116CD343[N],
PRO116O844[C], 4[N],
PRO116C444[N],
PRO116N444[N],
TYR117CB343[N],
PRO136CG141[N],
PRO136C444[N],
PRO136O1345[C], 8[N],
VAL137N646[N],
VAL137CB443[N], 1[C],
VAL137C29414[N], 15[C],
VAL137O23410[N], 13[C],
VAL137CG1242[N],
VAL137CA1446[C], 8[N],
ILE138N40420[N], 20[C],
ILE138CA44420[N], 23[C], 1[O],
ILE138CB60428[C], 12[O], 20[N],
ILE138CG280420[N], 4[P], 40[C], 16[O],
ILE138C37418[N], 19[C],
ILE138O29416[C], 13[N],
ILE138CG167435[C], 11[O], 1[P], 20[N],
ILE138CD169413[O], 35[C], 20[N], 1[P],
ILE139C744[N], 1[C], 2[O],
ILE139N23410[N], 13[C],
ILE139O1445[C], 4[O], 5[N],
LYS140CE100421[N], 8[P], 40[C], 31[O],
LYS140CG61415[C], 26[O], 7[P], 13[N],
LYS140NZ104421[N], 7[P], 40[C], 36[O],
LYS140N941[C], 4[O], 4[N],
LYS140CA2245[P], 4[N], 12[O], 1[C],
LYS140CB5448[N], 7[P], 13[C], 26[O],
LYS140C841[P], 7[O],
LYS140CD80413[N], 7[P], 32[C], 28[O],
LYS140O343[O],
PRO141CD14410[O], 1[N], 3[P],
PRO141CA242[O],
PRO141O2147[P], 14[O],
PRO141CB343[O],
PRO141C1241[P], 11[O],
PRO141N847[O], 1[P],
PRO141CG641[P], 5[O],
VAL142O1544[P], 11[O],
VAL142CA141[O],
VAL142C848[O],
VAL142N141[O],
HIS143C1443[P], 11[O],
HIS143O1048[O], 2[P],
HIS143CB141[O],
HIS143CA641[P], 5[O],
HIS143N444[O],
GLU144CA19412[O], 1[N], 6[P],
GLU144CD1741[N], 3[P], 1[C], 12[O],
GLU144CG1941[N], 5[P], 1[C], 12[O],
GLU144CB2041[N], 5[P], 14[O],
GLU144O2541[C], 17[O], 6[P], 1[N],
GLU144OE119412[O], 2[C], 1[N], 4[P],
GLU144C2441[N], 6[P], 1[C], 16[O],
GLU144N14410[O], 3[P], 1[N],
GLU144OE21543[P], 1[N], 10[O], 1[C],
GLY145C1842[C], 12[O], 4[P],
GLY145O1844[P], 3[C], 11[O],
GLY145CA1744[P], 2[C], 11[O],
GLY145N1344[P], 9[O],
SER146N1844[P], 11[O], 3[C],
SER146CB1142[P], 8[O], 1[C],
SER146OG942[P], 6[O], 1[C],
SER146C2444[P], 5[C], 15[O],
SER146O2443[P], 7[C], 14[O],
SER146CA1944[C], 11[O], 4[P],
SER147O2645[P], 1[N], 16[O], 4[C],
SER147N44428[O], 7[C], 1[N], 8[P],
SER147C3447[P], 1[N], 21[O], 5[C],
SER147CA5048[P], 1[N], 30[O], 11[C],
SER147CB5742[N], 9[P], 15[C], 31[O],
SER147OG62434[O], 17[C], 3[N], 8[P],
VAL148CG1343[O],
VAL148O1844[P], 1[N], 12[O], 1[C],
VAL148CB841[N], 2[P], 5[O],
VAL148CG2943[P], 1[N], 5[O],
VAL148CA15410[O], 4[P], 1[N],
VAL148C1147[O], 3[P], 1[N],
VAL148N26417[O], 2[C], 1[N], 6[P],
GLY149O141[O],
GLY149C242[O],
GLY149CA242[O],
GLY149N242[O],
MET150SD98435[C], 41[O], 9[P], 13[N],
MET150O242[O],
MET150CB5948[P], 9[N], 24[O], 18[C],
MET150N741[C], 4[O], 1[P], 1[N],
MET150C242[O],
MET150CE95414[N], 8[P], 36[C], 37[O],
MET150CA14410[O], 2[C], 1[N], 1[P],
MET150CG71426[C], 27[O], 8[P], 10[N],
SER151N141[O],
SER151O542[N], 2[C], 1[O],
SER151C141[O],
LYS152CE1248[N], 4[C],
LYS152CD1447[C], 7[N],
LYS152NZ141[C],
LYS152CB442[C], 2[N],
LYS152CA241[C], 1[N],
LYS152CG1144[C], 7[N],
MET174CB242[O],
MET174CG242[O],
MET174SD644[O], 2[P],
MET174CE20413[O], 4[P], 3[N],
ALA175O444[N],
ALA175C444[N],
GLU176CD57413[O], 20[C], 20[N], 4[P],
GLU176OE25844[P], 18[N], 13[O], 23[C],
GLU176OE166418[N], 4[P], 26[C], 18[O],
GLU176N1948[C], 11[N],
GLU176CG36415[N], 4[O], 17[C],
GLU176C25412[N], 13[C],
GLU176CB42420[C], 2[O], 20[N],
GLU176O31417[C], 14[N],
GLU176CA2149[C], 12[N],
LYS177C32416[C], 16[N],
LYS177CD444[N],
LYS177CA20412[C], 8[N],
LYS177O40420[C], 20[N],
LYS177CG1248[N], 4[C],
LYS177N23412[N], 11[C],
LYS177NZ141[N],
LYS177CB1244[C], 8[N],
TRP178C35419[N], 16[C],
TRP178NE140417[N], 22[C], 1[O],
TRP178CZ334413[N], 4[O], 17[C],
TRP178N32416[N], 16[C],
TRP178CA40420[N], 20[C],
TRP178O28412[N], 16[C],
TRP178CD236420[C], 16[N],
TRP178CB34416[C], 18[N],
TRP178CZ233413[N], 18[C], 2[O],
TRP178CE236416[N], 19[C], 1[O],
TRP178CD137421[C], 16[N],
TRP178CG34418[N], 16[C],
TRP178CE337416[N], 18[C], 3[O],
ILE179CG137419[C], 18[N],
ILE179CD138418[N], 20[C],
ILE179CB42420[N], 22[C],
ILE179N41420[N], 21[C],
ILE179CG237417[N], 1[O], 19[C],
ILE179O50420[N], 2[O], 28[C],
ILE179C34416[C], 18[N],
ILE179CA37417[C], 20[N],
THR180CG2241[N], 1[C],
THR180CB644[C], 2[N],
THR180O944[C], 5[N],
THR180CA1547[C], 8[N],
THR180N26412[N], 14[C],
THR180C1348[N], 5[C],
GLY181C141[C],
GLY181N1547[C], 8[N],
GLY181O341[C], 2[N],
GLY181CA946[N], 3[C],
ARG182C141[O],
GLU183CG54415[O], 31[C], 8[N],
GLU183N844[C], 4[O],
GLU183OE176421[O], 38[C], 15[N], 2[P],
GLU183OE282428[O], 37[C], 4[P], 13[N],
GLU183C942[C], 7[O],
GLU183CA1748[C], 8[O], 1[N],
GLU183CB4149[O], 24[C], 8[N],
GLU183CD7043[P], 12[N], 36[C], 19[O],
PHE184C141[O],
PHE184N641[C], 5[O],
PHE184O742[C], 5[O],
THR185OG1343[O],
THR185CB242[O],
LEU199CG646[O],
LEU199O444[O],
LEU199CD2743[C], 4[O],
LEU199CB941[C], 8[O],
LEU199CD1745[O], 2[C],
LEU199C343[O],
GLN200C141[O],
PRO201CG31412[O], 16[C], 3[N],
PRO201C141[O],
PRO201N444[O],
PRO201CB1949[O], 10[C],
PRO201CA444[O],
PRO201CD1347[O], 6[C],
ALA203O544[O], 1[C],
ALA203C441[C], 3[O],
ALA206C3948[N], 9[O], 22[C],
ALA206N944[C], 3[O], 2[N],
ALA206O4449[O], 24[C], 11[N],
ALA206CA2245[O], 12[C], 5[N],
ALA206CB1744[O], 9[C], 4[N],
PHE207CG51428[C], 13[O], 10[N],
PHE207CA48427[C], 12[O], 9[N],
PHE207CZ46410[N], 27[C], 9[O],
PHE207C40422[C], 12[O], 6[N],
PHE207CD157411[N], 2[P], 29[C], 15[O],
PHE207CB50410[N], 13[O], 27[C],
PHE207CD248425[C], 13[O], 1[P], 9[N],
PHE207O2944[N], 10[O], 15[C],
PHE207CE24148[N], 1[P], 10[O], 22[C],
PHE207CE152412[N], 1[P], 26[C], 13[O],
PHE207N3949[O], 23[C], 7[N],
TYR208CG35418[O], 15[C], 1[P], 1[N],
TYR208C48419[C], 22[O], 3[N], 4[P],
TYR208O53419[C], 25[O], 3[N], 6[P],
TYR208CB4746[N], 1[P], 19[O], 21[C],
TYR208CD239415[C], 20[O], 1[N], 3[P],
TYR208CD123414[C], 9[O],
TYR208CE22541[P], 12[O], 12[C],
TYR208CA40421[C], 15[O], 4[N],
TYR208CE11247[O], 5[C],
TYR208CZ1448[O], 5[C], 1[P],
TYR208N4747[N], 2[P], 23[C], 15[O],
ASP209CA19410[C], 9[O],
ASP209CG543[O], 2[C],
ASP209O844[O], 4[C],
ASP209CB1448[C], 6[O],
ASP209OD1342[O], 1[C],
ASP209C1045[C], 5[O],
ASP209N19410[C], 8[O], 1[N],
ASP209OD2342[C], 1[O],
TYR210CD2141[O],
TYR210N442[O], 2[C],
TYR210CA141[O],
ALA212CB242[O],
LYS213CD1944[C], 12[O], 3[P],
LYS213NZ2849[C], 15[O], 1[N], 3[P],
LYS213CE25414[O], 8[C], 3[P],
LYS213CA141[O],
LYS213CB541[P], 4[O],
LYS213CG1242[P], 7[O], 3[C],
TYR214CD2141[O],
TYR214CE2541[P], 4[O],
TYR214CE1342[O], 1[P],
TYR214CG141[O],
TYR214CD1141[O],
TYR214CZ541[P], 4[O],
ARG253O342[O], 1[P],
ARG253CG141[O],
ARG253CZ948[O], 1[P],
ARG253C141[O],
ARG253CB141[O],
ARG253NE645[O], 1[P],
ARG253CD241[P], 1[O],
ARG253CA141[O],
ILE254N141[O],
ILE254CA141[O],
ILE254C242[O],
ASP255CA1842[P], 11[O], 5[C],
ASP255CG4646[P], 15[C], 25[O],
ASP255OD12343[P], 15[O], 5[C],
ASP255OD260418[C], 34[O], 8[P],
ASP255CB5642[N], 6[P], 18[C], 30[O],
ASP255N847[O], 1[P],
ASP255O1343[C], 8[O], 2[P],
ASP255C1545[C], 9[O], 1[P],
ALA256CA141[O],
ALA256N1147[O], 4[C],
ALA256C1144[O], 7[C],
ALA256O1648[O], 8[C],
MET257CA28419[C], 1[O], 8[N],
MET257CB60420[N], 8[O], 32[C],
MET257CG71420[N], 16[O], 35[C],
MET257N941[N], 7[C], 1[O],
MET257SD80420[N], 1[P], 19[O], 40[C],
MET257CE68412[O], 36[C], 20[N],
MET257C342[C], 1[N],
GLN258O1547[C], 8[N],
ASP259OD1341[C], 2[N],
ASP259CG242[N],
ASP259OD2242[N],
TRP265CD2742[C], 5[N],
TRP265CZ31146[N], 5[C],
TRP265CG444[N],
TRP265CE31549[C], 6[N],
TRP265CB744[N], 3[C],
LEU266O1546[O], 1[C], 8[N],
LEU266C842[N], 6[O],
LEU267CD196440[C], 31[O], 20[N], 5[P],
LEU267CG94430[O], 40[C], 4[P], 20[N],
LEU267CB92436[C], 32[O], 19[N], 5[P],
LEU267C4145[P], 4[N], 20[O], 12[C],
LEU267CD293420[N], 4[P], 40[C], 29[O],
LEU267CA6444[P], 12[N], 20[O], 28[C],
LEU267N2544[C], 12[O], 4[P], 5[N],
LEU267O3745[P], 4[N], 20[O], 8[C],
GLU268CB4749[C], 29[O], 9[P],
GLU268C2146[P], 15[O],
GLU268CG5949[P], 2[N], 33[O], 15[C],
GLU268CA3046[P], 23[O], 1[C],
GLU268O1444[P], 10[O],
GLU268OE160415[C], 35[O], 9[P], 1[N],
GLU268CD6241[N], 9[P], 16[C], 36[O],
GLU268N3441[N], 5[P], 6[C], 22[O],
GLU268OE26141[N], 9[P], 15[C], 36[O],
VAL269N1142[P], 9[O],
VAL269O1142[P], 9[O],
VAL269CA646[O],
VAL269C741[P], 6[O],
ASN270CG13410[O], 3[P],
ASN270N443[O], 1[P],
ASN270CB942[P], 7[O],
ASN270CA645[O], 1[P],
ASN270O141[O],
ASN270ND219415[O], 4[P],
ASN270OD11249[O], 3[P],
ASN270C242[O],
THR271N141[O],
VAL272C141[O],
VAL272O141[O],
PRO273CB242[O],
PRO273CA441[P], 3[O],
PRO273N141[O],
PRO273C343[O],
GLY274CA242[O],
GLY274N441[P], 3[O],
LEU280CD1544[O], 1[P],
LEU280CB141[O],
LEU280CG242[O],
Total = 358



Download csv file of statistical distribution of contacts