Binding Site Information :
Doc...
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 :C1_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 C1_S1
Complex: UPG_A_5(3JUK) / Model_6(3JUK/A) = [7.6] Download1141.5620.42MKERMYMKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALKSGIEDILIVTGKAKRPIEDHFDSNIELETNLSEKGKTELLKLVEETTDVNLHFIRQSHPKGLGHAVLQARAFIGNEPFVVMLGDDIMEDEVPLTQQLIDDYERTHASTIAVMQVPHDETSKYGIINPGEVLEDGLYNVKNFVEKPDPSKAPSDLAIIGRYLLTPEIFDVLSEQQPGAGNEIQLTDAIDTLNKTQRVFARKFTGKRYDVGDKFGFMKTSIEYGLTHPEVGAPLREYILSLGKTLEAEGSKIDHNPKGITEIKEEKKK
Complex: UTP_A_2(5VE7) / Model_4(5VE7/A) = [6.6] Download1221.5523.86MKERMYMKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALKSGIEDILIVTGKAKRPIEDHFDSNIELETNLSEKGKTELLKLVEETTDVNLHFIRQSHPKGLGHAVLQARAFIGNEPFVVMLGDDIMEDEVPLTQQLIDDYERTHASTIAVMQVPHDETSKYGIINPGEVLEDGLYNVKNFVEKPDPSKAPSDLAIIGRYLLTPEIFDVLSEQQPGAGNEIQLTDAIDTLNKTQRVFARKFTGKRYDVGDKFGFMKTSIEYGLTHPEVGAPLREYILSLGKTLEAEGSKIDHNPKGITEIKEEKKK
Complex: GUD_B_14(2PA4) / Model_52(2PA4/B) = [5.9] Download1206.8320.95MKERMYMKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALKSGIEDILIVTGKAKRPIEDHFDSNIELETNLSEKGKTELLKLVEETTDVNLHFIRQSHPKGLGHAVLQARAFIGNEPFVVMLGDDIMEDEVPLTQQLIDDYERTHASTIAVMQVPHDETSKYGIINPGEVLEDGLYNVKNFVEKPDPSKAPSDLAIIGRYLLTPEIFDVLSEQQPGAGNEIQLTDAIDTLNKTQRVFARKFTGKRYDVGDKFGFMKTSIEYGLTHPEVGAPLREYILSLGKTLEAEGSKIDHNPKGITEIKEEKKK
Consensus
[pKd Mean = 6.70]		-1189
(s=34)		21
(s=1)		MKERMYMKVKKAVIPAAGLGTRFLPATKAMAKEMLPIVDKPTIQFIVEEALKSGIEDILIVTGKAKRPIEDHFDSNIELETNLSEKGKTELLKLVEETTDVNLHFIRQSHPKGLGHAVLQARAFIGNEPFVVMLGDDIMEDEVPLTQQLIDDYERTHASTIAVMQVPHDETSKYGIINPGEVLEDGLYNVKNFVEKPDPSKAPSDLAIIGRYLLTPEIFDVLSEQQPGAGNEIQLTDAIDTLNKTQRVFARKFTGKRYDVGDKFGFMKTSIEYGLTHPEVGAPLREYILSLGKTLEAEGSKIDHNPKGITEIKEEKKK



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]
ILE14CG21136[O], 5[C],
PRO15CD37313[O], 19[C], 5[N],
PRO15CG47315[O], 6[N], 26[C],
LEU19CG24310[O], 3[N], 9[C], 2[P],
LEU19CD21131[N], 3[C], 5[O], 2[P],
LEU19CD11332[P], 3[C], 8[O],
THR21OG11032[P], 8[O],
THR21CG2937[O], 2[P],
ARG22CG1232[P], 10[O],
ARG22NE18315[O], 3[P],
ARG22CZ1833[P], 14[O], 1[C],
ARG22CD1133[P], 8[O],
PHE23CD2131[O],
PHE23CE1232[O],
PHE23CD1632[P], 4[O],
PHE23CZ131[O],
PHE23CG131[O],
LEU24CD1232[O],
LEU24CG232[O],
THR27CG2232[O],
THR27OG1433[O], 1[P],
LYS32CG3334[P], 17[O], 12[C],
LYS32CE5537[P], 2[N], 17[C], 29[O],
LYS32CD46313[C], 1[N], 27[O], 5[P],
LYS32NZ6432[N], 20[C], 35[O], 7[P],
GLU33CD4733[P], 21[C], 3[N], 20[O],
GLU33OE24232[P], 4[N], 18[C], 18[O],
GLU33OE15433[P], 23[C], 5[N], 23[O],
GLU33CG30315[C], 1[N], 14[O],
THR42CG2131[O],
ILE43CD1232[O],
VAL61CG12736[N], 12[C], 9[O],
VAL61CG21234[C], 4[N], 4[O],
LYS66CD432[O], 2[C],
LYS66CE633[O], 3[C],
LYS66CG131[O],
LYS66NZ1232[N], 6[C], 4[O],
ILE69CG1131[O],
ILE69CD1333[O],
GLN108OE134311[O], 17[C], 6[N],
GLN108NE23139[O], 6[N], 16[C],
GLN108CG2436[N], 12[C], 6[O],
GLN108CD3039[O], 6[N], 15[C],
PRO111CD1333[O], 7[C], 3[N],
PRO111CG18310[C], 4[N], 4[O],
LYS112CG733[O], 3[C], 1[N],
LYS112CD333[O],
LEU114CD28836[N], 39[C], 38[O], 5[P],
LEU114CG84336[O], 37[C], 6[N], 5[P],
LEU114CD17536[N], 33[C], 31[O], 5[P],
HIS116CE1633[O], 1[C], 2[N],
HIS116ND11535[O], 3[N], 7[C],
HIS116CG933[O], 3[C], 3[N],
HIS116CD2232[O],
VAL118CG21532[N], 7[C], 6[O],
GLN120NE2532[O], 2[C], 1[N],
GLN120OE1331[C], 1[N], 1[O],
GLN120CD431[N], 1[C], 2[O],
VAL132CG1833[C], 5[O],
LEU134CG6633[N], 28[C], 31[O], 4[P],
LEU134CD27134[P], 32[O], 32[C], 3[N],
LEU134CD17135[P], 3[N], 31[C], 32[O],
ASP136CG6336[P], 35[O], 21[C], 1[N],
ASP136OD267334[O], 26[C], 1[N], 6[P],
ASP136OD174336[O], 3[N], 28[C], 7[P],
ASP137CG2331[P], 10[O], 12[C],
ASP137OD23532[P], 17[C], 16[O],
ASP137OD119310[O], 8[C], 1[P],
ILE161CG2432[O], 2[C],
LYS173CG433[O], 1[P],
LYS173CD232[O],
TYR174CE23132[P], 12[C], 17[O],
TYR174CD12138[C], 12[O], 1[P],
TYR174CZ2339[C], 12[O], 2[P],
TYR174CE11538[C], 7[O],
TYR174CD23232[P], 12[C], 18[O],
TYR174CG30316[O], 12[C], 2[P],
ILE176CD1434[O],
ILE176CG1434[O],
PHE193CE2633[O], 3[C],
PHE193CE1733[O], 4[C],
PHE193CZ1035[O], 5[C],
PHE193CG231[C], 1[O],
PHE193CD2331[C], 2[O],
PHE193CD1432[C], 2[O],
GLU195OE130316[O], 12[C], 2[P],
GLU195CD30312[C], 16[O], 2[P],
GLU195OE242324[O], 14[C], 4[P],
GLU195CG2632[P], 10[C], 14[O],
LYS196CG28310[C], 16[O], 2[P],
LYS196NZ4334[P], 14[C], 25[O],
LYS196CD29316[O], 10[C], 3[P],
LYS196CE36310[C], 22[O], 4[P],
ILE208CG119311[C], 8[O],
ILE208CG224312[O], 12[C],
ILE208CD11438[C], 6[O],
ILE209CG21136[C], 5[O],
ILE209CD1432[O], 2[C],
ILE209CG11135[O], 6[C],
TYR212CE22339[O], 14[C],
TYR212CE122313[C], 9[O],
TYR212CZ26314[C], 12[O],
TYR212CD1832[O], 6[C],
TYR212CD2735[C], 2[O],
GLU232CG1538[C], 2[N], 5[O],
GLU232OE151319[C], 6[N], 21[O], 5[P],
GLU232CD30312[O], 5[N], 11[C], 2[P],
GLU232OE22734[N], 9[C], 12[O], 2[P],
GLN234CD19310[O], 7[C], 2[P],
GLN234NE220311[O], 7[C], 2[P],
GLN234OE133313[C], 16[O], 4[P],
GLN234CG632[C], 4[O],
LEU235CD2633[C], 3[O],
LEU235CG634[O], 2[C],
THR236CG21135[O], 6[C],
THR236OG120310[O], 10[C],
ILE239CD1131[O],
ARG257CG432[O], 2[C],
ARG257CD432[C], 2[O],
ARG257CZ1436[C], 8[O],
ARG257NE1136[C], 5[O],
ASP259OD22433[P], 15[O], 6[C],
ASP259CG2032[P], 14[O], 4[C],
ASP259OD12633[P], 7[C], 16[O],
VAL260CG2333[O],
ASP262OD11038[O], 2[P],
ASP262OD2232[O],
ASP262CG535[O],
Total = 128



Download csv file of statistical distribution of contacts