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] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: DTP_A_3(2G88) / Model_59(2G88/A) = [8.5] Download1127.5611.38MAKKPKKLEEISKKFGAEREKALNDALKLIEKDFGKGSIMRLGERAEQKVQVMSSGSLALDIALGSGGYPKGRIIEIYGPESSGKTTVALHAVAQAQKEGGIAAFIDAEHALDPAYAAALGVNIDELLLSQPDSGEQGLEIAGKLIDSGAVDLVVVDSVAALVPRAEIDGDIGDSHVGLQARMMSQAMRKLGASINKTKTIAIFINQLREKVGVMFGNPETTPGGRALKFYASVRLDVRGNTQIKGTGDQKETNVGKETKIKVVKNKVAPPFKEAVVEIMYGEGISKTGELLKIASDLDIIKKAGAWYSYKDEKIGQGSENAKKYLAEHPEIFDEIDKQVRSKFGLIDGEEVSEQDTENKKDEPKKEEAVNEEVPLDLGDELEIEIEE
Complex: ANP_A_3(1XMS) / Model_45(1XMS/A) = [6.4] Download1524.1616.70MAKKPKKLEEISKKFGAEREKALNDALKLIEKDFGKGSIMRLGERAEQKVQVMSSGSLALDIALGSGGYPKGRIIEIYGPESSGKTTVALHAVAQAQKEGGIAAFIDAEHALDPAYAAALGVNIDELLLSQPDSGEQGLEIAGKLIDSGAVDLVVVDSVAALVPRAEIDGDIGDSHVGLQARMMSQAMRKLGASINKTKTIAIFINQLREKVGVMFGNPETTPGGRALKFYASVRLDVRGNTQIKGTGDQKETNVGKETKIKVVKNKVAPPFKEAVVEIMYGEGISKTGELLKIASDLDIIKKAGAWYSYKDEKIGQGSENAKKYLAEHPEIFDEIDKQVRSKFGLIDGEEVSEQDTENKKDEPKKEEAVNEEVPLDLGDELEIEIEE
Complex: AGS_A_2(2ZRJ) / Model_27(2ZRJ/A) = [6.3] Download1201.059.24MAKKPKKLEEISKKFGAEREKALNDALKLIEKDFGKGSIMRLGERAEQKVQVMSSGSLALDIALGSGGYPKGRIIEIYGPESSGKTTVALHAVAQAQKEGGIAAFIDAEHALDPAYAAALGVNIDELLLSQPDSGEQGLEIAGKLIDSGAVDLVVVDSVAALVPRAEIDGDIGDSHVGLQARMMSQAMRKLGASINKTKTIAIFINQLREKVGVMFGNPETTPGGRALKFYASVRLDVRGNTQIKGTGDQKETNVGKETKIKVVKNKVAPPFKEAVVEIMYGEGISKTGELLKIASDLDIIKKAGAWYSYKDEKIGQGSENAKKYLAEHPEIFDEIDKQVRSKFGLIDGEEVSEQDTENKKDEPKKEEAVNEEVPLDLGDELEIEIEE
Complex: ADP_B_2(1MO3) / Model_32(1MO3/A) = [6.3] Download1202.3027.45MAKKPKKLEEISKKFGAEREKALNDALKLIEKDFGKGSIMRLGERAEQKVQVMSSGSLALDIALGSGGYPKGRIIEIYGPESSGKTTVALHAVAQAQKEGGIAAFIDAEHALDPAYAAALGVNIDELLLSQPDSGEQGLEIAGKLIDSGAVDLVVVDSVAALVPRAEIDGDIGDSHVGLQARMMSQAMRKLGASINKTKTIAIFINQLREKVGVMFGNPETTPGGRALKFYASVRLDVRGNTQIKGTGDQKETNVGKETKIKVVKNKVAPPFKEAVVEIMYGEGISKTGELLKIASDLDIIKKAGAWYSYKDEKIGQGSENAKKYLAEHPEIFDEIDKQVRSKFGLIDGEEVSEQDTENKKDEPKKEEAVNEEVPLDLGDELEIEIEE
Complex: SAP_B_2(2ODW) / Model_7(2ODW/A) = [5.9] Download1161.4423.48MAKKPKKLEEISKKFGAEREKALNDALKLIEKDFGKGSIMRLGERAEQKVQVMSSGSLALDIALGSGGYPKGRIIEIYGPESSGKTTVALHAVAQAQKEGGIAAFIDAEHALDPAYAAALGVNIDELLLSQPDSGEQGLEIAGKLIDSGAVDLVVVDSVAALVPRAEIDGDIGDSHVGLQARMMSQAMRKLGASINKTKTIAIFINQLREKVGVMFGNPETTPGGRALKFYASVRLDVRGNTQIKGTGDQKETNVGKETKIKVVKNKVAPPFKEAVVEIMYGEGISKTGELLKIASDLDIIKKAGAWYSYKDEKIGQGSENAKKYLAEHPEIFDEIDKQVRSKFGLIDGEEVSEQDTENKKDEPKKEEAVNEEVPLDLGDELEIEIEE
Consensus
[pKd Mean = 6.68]		-1243
(s=143)		17
(s=6)		MAKKPKKLEEISKKFGAEREKALNDALKLIEKDFGKGSIMRLGERAEQKVQVMSSGSLALDIALGSGGYPKGRIIEIYGPESSGKTTVALHAVAQAQKEGGIAAFIDAEHALDPAYAAALGVNIDELLLSQPDSGEQGLEIAGKLIDSGAVDLVVVDSVAALVPRAEIDGDIGDSHVGLQARMMSQAMRKLGASINKTKTIAIFINQLREKVGVMFGNPETTPGGRALKFYASVRLDVRGNTQIKGTGDQKETNVGKETKIKVVKNKVAPPFKEAVVEIMYGEGISKTGELLKIASDLDIIKKAGAWYSYKDEKIGQGSENAKKYLAEHPEIFDEIDKQVRSKFGLIDGEEVSEQDTENKKDEPKKEEAVNEEVPLDLGDELEIEIEE



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]
ILE77CG21359[O], 4[P],
ILE77CD1151[O],
ILE77CG1151[O],
PRO80CG858[O],
PRO80CD1159[O], 2[P],
GLU81OE12952[S], 7[P], 19[O], 1[N],
GLU81CD40510[P], 2[S], 27[O], 1[N],
GLU81OE237526[O], 1[N], 8[P], 2[S],
GLU81CG43510[P], 2[S], 1[N], 30[O],
SER82OG9952[S], 14[P], 25[C], 5[N], 53[O],
SER83OG61514[P], 6[C], 1[S], 39[O], 1[N],
LYS85CE60514[P], 1[C], 2[S], 42[O], 1[N],
LYS85CD5751[N], 38[O], 2[S], 14[P], 2[C],
LYS85NZ59541[O], 1[N], 14[P], 1[C], 2[S],
LYS85CG61544[O], 1[N], 14[P], 1[C], 1[S],
THR86CG288545[O], 12[N], 15[C], 14[P], 2[S],
THR86OG18157[N], 46[O], 2[S], 14[P], 12[C],
THR87OG1127519[N], 49[O], 48[C], 10[P], 1[S],
THR87CG286535[C], 6[P], 34[O], 11[N],
VAL88CG22155[P], 1[C], 15[O],
LEU90CD149514[O], 15[N], 5[P], 15[C],
LEU90CD2252[O],
LEU90CG1852[C], 3[P], 10[O], 3[N],
HIS91CE1151[O],
HIS91NE2151[O],
GLU109OE12251[N], 14[O], 5[P], 2[S],
GLU109CD1353[P], 1[S], 1[N], 8[O],
GLU109CG1351[N], 7[O], 2[S], 3[P],
GLU109OE2554[O], 1[P],
LEU112CG151[N],
LEU112CD1252[N],
ASP113CG47525[C], 22[N],
ASP113OD137517[N], 20[C],
ASP113OD250525[N], 25[C],
PRO114CD555[N],
TYR116CE211155[P], 50[C], 25[N], 31[O],
TYR116CZ113525[N], 33[O], 50[C], 5[P],
TYR116CE1105550[C], 5[P], 25[O], 25[N],
TYR116CD193518[O], 25[N], 2[P], 48[C],
TYR116CD2104550[C], 5[P], 25[N], 24[O],
TYR116CG94545[C], 3[P], 25[N], 21[O],
LEU120CD221511[C], 8[N], 2[O],
LEU120CD136510[O], 10[N], 16[C],
LEU120CG15510[C], 5[N],
ASP157OD23651[N], 24[O], 9[P], 2[S],
ASP157CG2052[S], 4[P], 1[N], 13[O],
ASP157OD12752[S], 7[P], 17[O], 1[N],
SER158OG1057[O], 3[P],
ILE205CD14051[S], 11[P], 1[N], 27[O],
ILE205CG24452[S], 10[P], 31[O], 1[N],
ILE205CG120513[O], 7[P],
GLN207CD4352[S], 10[P], 30[O], 1[N],
GLN207OE14852[S], 12[P], 1[N], 33[O],
GLN207CG3859[P], 2[S], 1[N], 26[O],
GLN207NE24752[S], 11[P], 33[O], 1[N],
VAL238CG130520[O], 8[P], 2[C],
VAL238CG21153[P], 8[O],
GLN243CD252[O],
GLN243OE1151[O],
GLN243CG151[O],
GLN243NE2252[O],
GLN250OE1151[O],
ASN254OD1353[O],
ASN254ND2151[O],
LYS257CD53525[C], 2[P], 24[O], 2[N],
LYS257CG40516[O], 24[C],
LYS257CE5253[P], 23[C], 25[O], 1[N],
LYS257NZ5755[P], 22[C], 28[O], 2[N],
THR259CG2251[C], 1[O],
THR259OG136521[O], 13[C], 2[P],
ILE279CD182539[O], 5[N], 29[C], 9[P],
ILE279CG15953[N], 25[O], 5[P], 26[C],
ILE279CG294541[C], 5[P], 15[N], 33[O],
MET280CG151[O],
TYR281CD254511[N], 12[O], 31[C],
TYR281CE160534[C], 14[O], 12[N],
TYR281CZ51528[C], 10[N], 13[O],
TYR281CE24557[N], 12[O], 26[C],
TYR281CG68514[O], 13[N], 41[C],
TYR281CD166537[C], 15[N], 14[O],
GLU283CG452[O], 2[N],
ILE285CG1252[O],
Total = 82



Download csv file of statistical distribution of contacts