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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: BG6_B_7(4F66) / Model_25(4F66/B) = [5.1] Download511.9327.00MKKFPEGFLWGGATAANQCEGAWDVDEKGLSVSDVYTFDSDLPKEKWTDQWHMMTHQQVKAAQDPNSKYYYPKRHGNDFYHHFKEDIRLFAEMGFKCYRMSIAWTRIFPHGDEETPNEAGLFFYDQVFDECLKYGIEPVVSLSHYEMPLYLVTEYGGWPNRKLIQFYVRFAETVFKRYKNKVKYWMTFNEINCVKHHPFVSVGVIEENHPHLEQAKYQGAHHQFIASALATKACHEIIKGSQVGCMISYQLLVPYSCDPDDIQKTIEQQRTSLFFSDVQARGYYPAYTQRMFEEKGVNLKIEVGDEEILAAYPVDFVSFSYYMSSAVSAHPENWEGVQGNLITGGIKNPYLPSSEWGWQIDPKGLRIALNQLYDRYQKPLFIAENGLGAIDKVEEDGTVQDDYRIDYLKQHIEQMKEAIKDGVDLFGYTSWGCIDIVSASTSQMSKRYGYIYVDQDDEGNGTKKRLKKKSFDWYRQVIQSNGEIL
Consensus
[pKd Mean = 5.10]		-511
(s=0)		27
(s=0)		MKKFPEGFLWGGATAANQCEGAWDVDEKGLSVSDVYTFDSDLPKEKWTDQWHMMTHQQVKAAQDPNSKYYYPKRHGNDFYHHFKEDIRLFAEMGFKCYRMSIAWTRIFPHGDEETPNEAGLFFYDQVFDECLKYGIEPVVSLSHYEMPLYLVTEYGGWPNRKLIQFYVRFAETVFKRYKNKVKYWMTFNEINCVKHHPFVSVGVIEENHPHLEQAKYQGAHHQFIASALATKACHEIIKGSQVGCMISYQLLVPYSCDPDDIQKTIEQQRTSLFFSDVQARGYYPAYTQRMFEEKGVNLKIEVGDEEILAAYPVDFVSFSYYMSSAVSAHPENWEGVQGNLITGGIKNPYLPSSEWGWQIDPKGLRIALNQLYDRYQKPLFIAENGLGAIDKVEEDGTVQDDYRIDYLKQHIEQMKEAIKDGVDLFGYTSWGCIDIVSASTSQMSKRYGYIYVDQDDEGNGTKKRLKKKSFDWYRQVIQSNGEIL



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]
THR14OG1212[O],
ASN17CG111[O],
ASN17OD1312[O], 1[C],
ASN17ND2111[O],
GLN18OE11518[O], 1[P], 6[C],
GLN18CG914[C], 1[P], 4[O],
GLN18NE21616[C], 1[P], 9[O],
GLN18CD1616[C], 1[P], 9[O],
HIS56NE2212[O],
HIS56CD2111[O],
LYS73NZ111[O],
ARG99CZ512[O], 3[C],
ARG99NE111[O],
HIS144CD21015[C], 5[O],
HIS144CG714[C], 3[O],
HIS144ND1914[O], 5[C],
HIS144CE11015[O], 5[C],
HIS144NE21115[O], 6[C],
TYR145CG814[O], 4[C],
TYR145CZ1015[C], 5[O],
TYR145CE21216[C], 6[O],
TYR145CD1613[O], 3[C],
TYR145CD21015[C], 5[O],
TYR145CE1714[C], 3[O],
ASN189ND21015[O], 5[C],
ASN189OD1915[C], 4[O],
ASN189CG915[C], 4[O],
GLU190OE11316[O], 1[P], 6[C],
GLU190CG914[O], 5[C],
GLU190CD1216[C], 6[O],
GLU190OE21216[C], 6[O],
CYS193SG312[C], 1[O],
VAL200CG1311[C], 2[O],
MET246CG111[O],
MET246SD412[O], 2[C],
MET246CE814[O], 4[C],
SER248OG512[C], 3[O],
GLN250NE2311[C], 2[O],
SER320OG913[O], 6[C],
TYR322CZ1616[C], 1[P], 9[O],
TYR322CD11316[C], 1[P], 6[O],
TYR322CG1015[C], 1[P], 4[O],
TYR322CD21417[O], 1[P], 6[C],
TYR322CE11518[O], 1[P], 6[C],
TYR322CE21619[O], 1[P], 6[C],
MET323CE411[C], 3[O],
TRP356CD1312[O], 1[P],
TRP356NE1311[P], 2[O],
TRP356CD2111[O],
TRP356CZ2111[O],
TRP356CZ3111[O],
TRP356CG311[P], 2[O],
TRP356CE3111[O],
TRP356CE2212[O],
TRP358CE2916[O], 1[P], 2[C],
TRP358CZ21315[C], 1[P], 7[O],
TRP358NE1511[C], 1[P], 3[O],
TRP358CD2916[O], 1[P], 2[C],
TRP358CG511[C], 1[P], 3[O],
TRP358CD1411[P], 3[O],
TRP358CE31016[O], 1[P], 3[C],
TRP358CZ31416[C], 1[P], 7[O],
GLU384CD1216[O], 6[C],
GLU384CG1115[O], 6[C],
GLU384OE11516[C], 1[P], 8[O],
GLU384OE21216[O], 6[C],
TRP431CE21616[C], 1[P], 9[O],
TRP431CE31416[C], 1[P], 7[O],
TRP431CG1516[C], 1[P], 8[O],
TRP431CD11619[O], 1[P], 6[C],
TRP431CZ21616[C], 1[P], 9[O],
TRP431NE11616[C], 1[P], 9[O],
TRP431CD21516[C], 1[P], 8[O],
TRP431CZ31317[O], 6[C],
ILE436CD1713[O], 4[C],
ILE436CG1613[C], 3[O],
VAL437CG1111[O],
SER438OG812[C], 1[P], 5[O],
SER440OG1516[C], 1[P], 8[O],
THR441CG2411[P], 3[O],
THR441OG1514[O], 1[P],
LYS446CG614[O], 1[P], 1[C],
LYS446CE812[C], 1[P], 5[O],
LYS446NZ1117[O], 1[P], 3[C],
LYS446CD715[O], 1[P], 1[C],
TYR448CE11116[O], 1[P], 4[C],
TYR448CG1013[C], 1[P], 6[O],
TYR448CE21216[O], 1[P], 5[C],
TYR448CD21114[C], 1[P], 6[O],
TYR448CD11016[O], 1[P], 3[C],
TYR448CZ1315[C], 1[P], 7[O],
Total = 91



Download csv file of statistical distribution of contacts