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 :C4_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 C4_S1
Complex: BLG_A_4(1D0M) / Model_8(1D0M/A) = [4.3] Download1604.6331.67MLSQFVNKTLKVLALCTGLISTSHFAQANDFVTHPNYLNFKQKAMSTYGLSGEQVDAAMNGAKNLPNIINIMTRPGESKPWYDYRSMFLVEGTIQRGVRFKNQYADALNRAEQQFGVSQAVILGILGVETGYGANKGSFITRDALATLAFGYPRRAEYFGDELAALIAWTYKEGYPTNSIVGSYAGAIGFPQFMPSNISKYGVDFDGNGHIDLRNSAEDAIGSIANYLAKQGWQCDQPIGFIARYTGSNPESIIAKDLTQPTPYGALKNQGISPLNPLVKIDDLDLVNVIQLQDYNGPIYYLTYPNFQVITTYNKSRMYATAVWLLGTEVASR
Consensus
[pKd Mean = 4.30]		-1604
(s=0)		31
(s=0)		MLSQFVNKTLKVLALCTGLISTSHFAQANDFVTHPNYLNFKQKAMSTYGLSGEQVDAAMNGAKNLPNIINIMTRPGESKPWYDYRSMFLVEGTIQRGVRFKNQYADALNRAEQQFGVSQAVILGILGVETGYGANKGSFITRDALATLAFGYPRRAEYFGDELAALIAWTYKEGYPTNSIVGSYAGAIGFPQFMPSNISKYGVDFDGNGHIDLRNSAEDAIGSIANYLAKQGWQCDQPIGFIARYTGSNPESIIAKDLTQPTPYGALKNQGISPLNPLVKIDDLDLVNVIQLQDYNGPIYYLTYPNFQVITTYNKSRMYATAVWLLGTEVASR



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]
ILE71CG2711[N], 2[C], 1[S], 3[O],
ILE71CG1512[O], 1[S], 2[C],
ILE71CD1613[O], 2[C], 1[S],
MET72SD614[C], 1[O], 1[N],
MET72CE811[N], 2[O], 5[C],
ILE125CD1312[C], 1[O],
ILE125CG2312[C], 1[O],
VAL128CG1111[O],
GLU129OE11713[N], 10[C], 4[O],
GLU129CG816[C], 1[O], 1[N],
GLU129CD1614[O], 9[C], 3[N],
GLU129OE21714[O], 10[C], 3[N],
ASN135ND2212[O],
PHE139CD1312[O], 1[S],
PHE139CZ311[S], 2[O],
PHE139CE1413[O], 1[S],
PHE139CD2111[O],
PHE139CE2111[O],
PHE139CG111[O],
ARG155CG111[O],
ARG155NE512[O], 2[C], 1[S],
ARG155CZ1015[O], 1[S], 4[C],
ARG155CD311[C], 2[O],
TYR158CD21016[O], 1[S], 3[C],
TYR158CD11217[O], 1[S], 4[C],
TYR158CG1013[C], 1[S], 6[O],
TYR158CE21618[O], 1[S], 7[C],
TYR158CZ1918[C], 1[S], 9[O], 1[N],
TYR158CE11516[C], 1[S], 8[O],
PHE159CE1713[C], 4[O],
PHE159CG111[O],
PHE159CD2111[O],
PHE159CZ1011[N], 4[O], 5[C],
PHE159CE2211[O], 1[C],
PHE159CD1111[O],
GLU162OE11013[C], 1[S], 6[O],
GLU162CG313[O],
GLU162OE21418[O], 1[S], 5[C],
GLU162CD916[O], 1[S], 2[C],
SER183OG1712[N], 6[O], 1[S], 8[C],
TYR184CE1613[O], 1[S], 2[C],
TYR184CE2411[C], 1[S], 2[O],
TYR184CG914[O], 1[S], 3[C], 1[N],
TYR184CD1911[N], 4[O], 1[S], 3[C],
TYR184CD2613[O], 2[C], 1[S],
TYR184CZ513[O], 1[S], 1[C],
PRO191CG413[C], 1[O],
PRO191CD111[C],
GLN192NE2711[N], 4[C], 2[O],
GLN192OE11712[N], 8[C], 1[S], 6[O],
GLN192CG1417[C], 5[O], 2[N],
GLN192CD1417[C], 1[S], 4[O], 2[N],
PHE193CD2511[O], 3[C], 1[N],
PHE193CE1611[N], 1[O], 4[C],
PHE193CD11111[N], 4[O], 6[C],
PHE193CE2411[N], 2[C], 1[O],
PHE193CZ411[N], 2[C], 1[O],
PHE193CG913[O], 5[C], 1[N],
MET194SD2913[N], 15[C], 1[S], 10[O],
MET194CG2813[N], 14[C], 1[S], 10[O],
MET194CE2513[N], 12[C], 1[S], 9[O],
PRO195CD111[O],
SER196OG1611[N], 6[C], 1[S], 8[O],
ASN197ND22612[N], 10[O], 1[S], 13[C],
ASN197CG2219[O], 1[S], 11[C], 1[N],
ASN197OD12011[N], 9[O], 1[S], 9[C],
ILE198CG1111[O],
ILE198CD1111[O],
LYS200CD111[O],
LYS200NZ111[O],
TYR201CZ212[O],
TYR201CD2713[O], 3[C], 1[N],
TYR201CG412[C], 2[O],
TYR201CE2711[N], 3[C], 3[O],
ILE224CG2111[C],
ILE224CG1111[C],
TYR227CD2916[C], 2[O], 1[N],
TYR227CZ1711[N], 7[O], 1[S], 8[C],
TYR227CE21618[C], 1[S], 6[O], 1[N],
TYR227CE11215[O], 6[C], 1[N],
TYR227CD1711[N], 2[O], 4[C],
TYR227CG711[N], 4[C], 2[O],
GLN231NE2311[C], 2[O],
GLN231CD211[C], 1[O],
GLN231CG111[O],
GLN231OE1514[O], 1[C],
THR312OG1412[C], 1[O], 1[N],
TYR313CD21311[N], 8[C], 4[O],
TYR313CE11712[N], 5[O], 10[C],
TYR313CD11912[N], 5[O], 12[C],
TYR313CE21318[C], 4[O], 1[N],
TYR313CG1619[C], 5[O], 2[N],
TYR313CZ1418[C], 4[O], 2[N],
ASN314ND22413[N], 16[C], 5[O],
ASN314OD11813[O], 12[C], 3[N],
ASN314CG22115[C], 4[O], 3[N],
LYS315CG1416[C], 1[S], 7[O],
LYS315NZ1116[O], 1[S], 4[C],
LYS315CD1216[O], 1[S], 5[C],
LYS315CE1417[O], 1[S], 6[C],
TYR319CD1211[C], 1[O],
TYR319CE1513[C], 1[O], 1[N],
TYR319CE2611[O], 4[C], 1[N],
TYR319CD2611[N], 1[O], 4[C],
TYR319CZ912[O], 5[C], 2[N],
TYR319CG211[C], 1[O],
Total = 106



Download csv file of statistical distribution of contacts