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 :C8_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 C8_S1
Complex: SFA_D_4(1YND) / Model_153(1YND/B) = [11.7] Download1789.3521.28MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELSKKGYYDGVIFHRVIPDFMIQGGDPTGTGMGGESIYGESFEDEFSRELFNLRGALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQDRPVHDVVIETIEISE
Complex: SFM_D_4(1NMK) / Model_160(1NMK/B) = [8.3] Download1264.9021.60MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELSKKGYYDGVIFHRVIPDFMIQGGDPTGTGMGGESIYGESFEDEFSRELFNLRGALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQDRPVHDVVIETIEISE
Complex: 7I6_X_2(4J5C) / Model_208(4J5C/X) = [8.0] Download1537.8114.92MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELSKKGYYDGVIFHRVIPDFMIQGGDPTGTGMGGESIYGESFEDEFSRELFNLRGALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQDRPVHDVVIETIEISE
Complex: 671_A_2(4J59) / Model_211(4J59/A) = [7.8] Download1033.4615.92MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELSKKGYYDGVIFHRVIPDFMIQGGDPTGTGMGGESIYGESFEDEFSRELFNLRGALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQDRPVHDVVIETIEISE
Complex: 728_X_2(4J5D) / Model_207(4J5D/X) = [7.8] Download1027.6715.92MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELSKKGYYDGVIFHRVIPDFMIQGGDPTGTGMGGESIYGESFEDEFSRELFNLRGALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQDRPVHDVVIETIEISE
Consensus
[pKd Mean = 8.72]
-1330
(s=295)
17
(s=3)
MQILGGNNMAFPQLDLKSEKGPKAVIKTNRGDITVQLFPELAPKTVQNFIELSKKGYYDGVIFHRVIPDFMIQGGDPTGTGMGGESIYGESFEDEFSRELFNLRGALSMANSGPNTNGSQFFIVNNTNVPANMLGQLEGAGFPSEIIEAYKGGGTPWLDFRHTVFGHVLEGMDTVDEIANVQRGPQDRPVHDVVIETIEISE



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]
HIS64ND1552631[C], 2[N], 22[O],
HIS64CD21482635[O], 87[C], 26[N],
HIS64NE23192651[O], 62[N], 1[S], 205[C],
HIS64CE12202647[N], 137[C], 36[O],
HIS64CG35269[C], 1[N], 25[O],
ARG65CZ5802695[O], 407[C], 5[S], 72[N],
ARG65CD4672661[N], 3[S], 326[C], 76[O],
ARG65CG306262[S], 29[N], 223[C], 51[O],
ARG65NE5082681[O], 4[S], 70[N], 352[C],
ILE67CG298262[S], 1[N], 72[C], 22[O],
ILE67CD1228262[S], 20[N], 174[C], 31[O],
ILE67CG11502622[O], 121[C], 4[N], 2[S],
PRO68CD3263[C],
ASP69OD16265[C], 1[O],
ASP69CG12262[O], 1[N], 9[C],
ASP69OD210261[O], 8[C], 1[N],
PHE70CE234026266[C], 3[S], 27[N], 43[O],
PHE70CE129926232[C], 26[N], 2[S], 38[O],
PHE70CD22642635[O], 2[S], 21[N], 205[C],
PHE70CG2362632[O], 15[N], 2[S], 186[C],
PHE70CD12492634[O], 19[N], 2[S], 193[C],
PHE70CZ3552652[O], 270[C], 3[S], 29[N],
MET71CG2662624[N], 2[S], 197[C], 42[O],
MET71CE3192664[O], 226[C], 25[N], 3[S],
MET71SD310263[S], 25[N], 217[C], 64[O],
GLN73CD53326377[C], 70[N], 3[S], 82[O],
GLN73OE15662682[O], 410[C], 3[S], 70[N],
GLN73NE25852690[O], 3[S], 77[N], 414[C],
GLN73CG4072673[O], 266[C], 3[S], 64[N],
ASP76OD133263[N], 30[C],
ASP76OD2112264[O], 5[N], 103[C],
ASP76CG932689[C], 4[N],
THR78OG15263[C], 2[N],
THR80OG112266[C], 1[N], 5[O],
MET82CG1462618[N], 115[C], 13[O],
MET82SD1392618[O], 18[N], 103[C],
MET82CE1052684[C], 12[N], 9[O],
GLU90CD12261[O], 4[N], 7[C],
GLU90OE26262[N], 4[C],
GLU90CG17261[O], 5[N], 11[C],
GLU90OE116261[O], 4[N], 11[C],
SER91OG292614[N], 14[C], 1[O],
PHE92CE17267[N],
PHE92CD17266[N], 1[O],
PHE101CE114264[O], 10[C],
PHE101CG1261[C],
PHE101CZ292625[C], 4[O],
PHE101CD29269[C],
PHE101CE2242624[C],
PHE101CD11261[C],
SER108OG662613[O], 53[C],
MET109CE392611[N], 28[C],
MET109SD1261[C],
ASN111CG4062660[O], 3[S], 67[N], 276[C],
ASN111ND22772639[O], 53[N], 2[S], 183[C],
ASN111OD145626309[C], 3[S], 75[N], 69[O],
SER112OG33326230[C], 1[S], 64[N], 38[O],
PRO114CD2262[C],
THR116CG2106262[O], 16[N], 88[C],
THR116OG124026154[C], 53[N], 33[O],
ASN117OD1462632[C], 12[N], 2[O],
ASN117CG422630[C], 11[N], 1[O],
ASN117ND28268[N],
SER119OG612613[N], 48[C],
GLN120OE144126287[C], 82[N], 1[S], 71[O],
GLN120CG2732649[O], 168[C], 1[S], 55[N],
GLN120NE235626233[C], 1[S], 59[N], 63[O],
GLN120CD3662662[O], 232[C], 1[S], 71[N],
PHE122CZ25026181[C], 1[S], 25[N], 43[O],
PHE122CG2362648[O], 1[S], 26[N], 161[C],
PHE122CD22132646[O], 142[C], 24[N], 1[S],
PHE122CD130926197[C], 47[N], 1[S], 64[O],
PHE122CE128826190[C], 1[S], 46[N], 51[O],
PHE122CE2223261[S], 25[N], 155[C], 42[O],
VAL124CG1182618[C],
VAL124CG2202620[C],
ASN126ND213263[O], 1[N], 9[C],
ASN126OD16261[O], 5[C],
ASN126CG8266[C], 2[O],
THR127CG22262[C],
THR155CG253264[O], 49[C],
THR155OG1512649[C], 2[O],
PRO156CG2261[C], 1[O],
PRO156CD7261[O], 6[C],
TRP157CE3322627[C], 1[N], 4[O],
TRP157CE2114263[N], 98[C], 13[O],
TRP157NE117026143[C], 4[N], 1[S], 21[O],
TRP157CG53267[O], 44[C], 2[N],
TRP157CZ211826102[C], 2[N], 13[O],
TRP157CZ334265[O], 26[C], 3[N],
TRP157CD11132698[C], 3[N], 12[O],
TRP157CD253266[O], 45[C], 2[N],
LEU158CD129126209[C], 3[S], 24[N], 54[O],
LEU158CD233326244[C], 28[N], 5[S], 55[O],
LEU158CG2532622[N], 188[C], 43[O],
ARG161CG25266[O], 19[C],
ARG161NE28265[O], 23[C],
ARG161CZ332627[C], 6[O],
ARG161CD45261[S], 38[C], 6[O],
HIS162CD23142642[O], 3[S], 48[N], 221[C],
HIS162CE14562680[O], 307[C], 5[S], 63[N],
HIS162CG2932639[O], 204[C], 48[N], 2[S],
HIS162NE24002671[O], 5[S], 62[N], 261[C],
HIS162ND139226273[C], 61[N], 3[S], 55[O],
GLN186CG1261[C],
ASP187OD22261[C], 1[O],
Total = 106



Download csv file of statistical distribution of contacts