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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: FDA_A_20(3OIB) / Model_80(3OIB/A) = [8.4] Download1640.427.54MLAYDADLELFRDNFKRFMNEHIAPHYDQWEREGIMPRSVWSQLGENGFLCVDVPEEYGGYGVPTYYSLMLVEESARAGFCALSTAISCHSEIAAPYILHIGTEEQKQYWLPKMVTGEVVGAIGMTEPGAGSDLQSMRTSAILQDDHYLLNGSKTFISNGQHADLVVLAVKTDPQARAKGVSLLLVDTYLEGFKKGTNLDKIGLHSQDTSELFFDNVKVPKNQLLGQAGQGFAYLMQELPRERTAIASTAVGAIRGAIDLATAYVKERYAFGQPISQFQNTRFVLAQAKIDELATTAFYERNVALYQEGKLDVETAAALKSFSTDMQMKVADNLLQLFGGYGYMTEYPISRFFVDARIQRIYGGTNEIMKEIVARGLIGKA
Complex: FAD_B_7(2PG0) / Model_21(2PG0/B) = [8.4] Download952.847.68MLAYDADLELFRDNFKRFMNEHIAPHYDQWEREGIMPRSVWSQLGENGFLCVDVPEEYGGYGVPTYYSLMLVEESARAGFCALSTAISCHSEIAAPYILHIGTEEQKQYWLPKMVTGEVVGAIGMTEPGAGSDLQSMRTSAILQDDHYLLNGSKTFISNGQHADLVVLAVKTDPQARAKGVSLLLVDTYLEGFKKGTNLDKIGLHSQDTSELFFDNVKVPKNQLLGQAGQGFAYLMQELPRERTAIASTAVGAIRGAIDLATAYVKERYAFGQPISQFQNTRFVLAQAKIDELATTAFYERNVALYQEGKLDVETAAALKSFSTDMQMKVADNLLQLFGGYGYMTEYPISRFFVDARIQRIYGGTNEIMKEIVARGLIGKA
Complex: FAO_B_5(3P4T) / Model_77(3P4T/B) = [8.1] Download1758.7110.08MLAYDADLELFRDNFKRFMNEHIAPHYDQWEREGIMPRSVWSQLGENGFLCVDVPEEYGGYGVPTYYSLMLVEESARAGFCALSTAISCHSEIAAPYILHIGTEEQKQYWLPKMVTGEVVGAIGMTEPGAGSDLQSMRTSAILQDDHYLLNGSKTFISNGQHADLVVLAVKTDPQARAKGVSLLLVDTYLEGFKKGTNLDKIGLHSQDTSELFFDNVKVPKNQLLGQAGQGFAYLMQELPRERTAIASTAVGAIRGAIDLATAYVKERYAFGQPISQFQNTRFVLAQAKIDELATTAFYERNVALYQEGKLDVETAAALKSFSTDMQMKVADNLLQLFGGYGYMTEYPISRFFVDARIQRIYGGTNEIMKEIVARGLIGKA
Consensus
[pKd Mean = 8.30]		-1450
(s=355)		8
(s=1)		MLAYDADLELFRDNFKRFMNEHIAPHYDQWEREGIMPRSVWSQLGENGFLCVDVPEEYGGYGVPTYYSLMLVEESARAGFCALSTAISCHSEIAAPYILHIGTEEQKQYWLPKMVTGEVVGAIGMTEPGAGSDLQSMRTSAILQDDHYLLNGSKTFISNGQHADLVVLAVKTDPQARAKGVSLLLVDTYLEGFKKGTNLDKIGLHSQDTSELFFDNVKVPKNQLLGQAGQGFAYLMQELPRERTAIASTAVGAIRGAIDLATAYVKERYAFGQPISQFQNTRFVLAQAKIDELATTAFYERNVALYQEGKLDVETAAALKSFSTDMQMKVADNLLQLFGGYGYMTEYPISRFFVDARIQRIYGGTNEIMKEIVARGLIGKA



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]
LEU83CD1535[C],
LEU83CG232[C],
LEU83CD2636[C],
CYS89SG734[C], 2[N], 1[O],
HIS90CG834[N], 2[C], 2[O],
HIS90ND11532[O], 4[N], 9[C],
HIS90CD2632[O], 2[N], 2[C],
HIS90NE21434[O], 4[N], 6[C],
HIS90CE12134[O], 6[N], 11[C],
ILE93CG11534[O], 7[C], 4[N],
ILE93CG21033[O], 3[N], 4[C],
ILE93CD12638[N], 14[C], 4[O],
ILE123CD1933[N], 2[C], 4[O],
ILE123CG22437[N], 11[C], 6[O],
ILE123CG11737[C], 4[N], 6[O],
MET125CG24310[C], 6[N], 8[O],
MET125CE38311[O], 10[N], 17[C],
MET125SD2137[O], 8[C], 6[N],
THR126CG28836[P], 40[C], 12[N], 30[O],
THR126OG18733[P], 30[O], 12[N], 42[C],
GLU127CG232[O],
SER132OG98335[O], 13[N], 35[C], 6[P],
ASP133OD2633[N], 3[O],
ASP133CG633[N], 3[O],
LEU134CG737[O],
LEU134CD21738[O], 7[C], 2[N],
LEU134CD11131[N], 1[C], 9[O],
MET137CE735[O], 1[C], 1[N],
MET137SD434[O],
LYS154CG733[C], 1[N], 3[O],
LYS154NZ333[O],
LYS154CE333[O],
LYS154CD1133[O], 5[N], 3[C],
THR155CG22732[P], 8[O], 13[C], 4[N],
THR155OG11831[P], 5[O], 2[N], 10[C],
PHE156CD28233[P], 18[O], 10[N], 51[C],
PHE156CG9033[P], 12[N], 51[C], 24[O],
PHE156CE17334[P], 20[O], 43[C], 6[N],
PHE156CZ65342[C], 4[N], 16[O], 3[P],
PHE156CE27634[P], 45[C], 9[N], 18[O],
PHE156CD184321[O], 11[N], 49[C], 3[P],
ILE157CD149312[N], 30[C], 7[O],
ILE157CG14236[O], 24[C], 12[N],
ILE157CG23636[O], 12[N], 18[C],
SER158OG5035[O], 10[N], 35[C],
ASN159OD1232[O],
ASN159CG232[O],
ASN159ND2131[O],
VAL166CG1332[N], 1[O],
LEU199CG131[C],
LEU199CD124324[C],
LYS201NZ17317[C],
LYS201CG17317[C],
LYS201CE2332[N], 21[C],
LYS201CD2632[N], 24[C],
LEU204CD12032[N], 18[C],
LEU204CG15315[C],
LEU204CD21331[N], 12[C],
GLN207CD27321[C], 3[N], 3[O],
GLN207CG1532[N], 11[C], 2[O],
GLN207OE13033[O], 24[C], 3[N],
GLN207NE229321[C], 6[N], 2[O],
THR209CG253312[N], 38[C], 3[O],
THR209OG13933[O], 31[C], 5[N],
SER210OG331[N], 1[C], 1[O],
LEU235CD2333[O],
LEU239CD2333[O],
GLU242CG432[C], 1[N], 1[O],
GLU242CD3639[O], 17[C], 10[N],
GLU242OE251312[N], 28[C], 11[O],
GLU242OE131312[C], 10[N], 9[O],
ILE246CD1633[N], 3[O],
LYS320NZ332[O], 1[C],
ILE358CD138332[C], 4[N], 2[O],
ILE358CG23132[O], 27[C], 2[N],
ILE358CG132326[C], 4[N], 2[O],
ARG360CZ331[C],
ARG360NE232[O],
ARG360CG232[O],
ILE361CG15233[P], 19[O], 26[C],
ILE361CD139328[C], 9[O],
ILE361CG29136[P], 3[N], 48[C], 28[O],
TYR362CE22731[O], 24[C], 2[N],
TYR362CD24535[O], 7[N], 33[C],
TYR362CZ1038[C], 2[N],
TYR362CD14736[N], 37[C], 4[O],
TYR362CG5939[O], 7[N], 43[C],
TYR362CE11232[N], 9[C], 1[O],
THR365OG18336[P], 33[C], 12[N], 23[O],
THR365CG29036[P], 9[N], 31[C], 35[O],
ASN366CG232[O],
ASN366ND2131[O],
GLU367OE23737[N], 17[C], 6[O],
GLU367CD4437[O], 9[N], 21[C],
GLU367CG51313[N], 24[C], 7[O],
GLU367OE15039[O], 8[N], 24[C],
ILE368CG17734[P], 15[N], 29[C], 20[O],
ILE368CG22135[O], 4[N], 10[C],
ILE368CD178321[O], 30[C], 14[N], 4[P],
GLU371OE135315[N], 16[C], 1[O],
GLU371CD33315[C], 14[N], 1[O],
GLU371CG23312[N], 11[C],
GLU371OE232313[N], 15[C], 1[O],
Total = 103



Download csv file of statistical distribution of contacts