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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: BMQ_E_5(1EIX) / Model_3(1EIX/A) = [6.4] Download958.5321.25MSIIVALDAKSQYDALKIVEQLDPTLCRVKVGKELFTHEGPSVVKKLQEENFEVFLDLKFHDIPNTTAQAVCAAADLGVWMVNVHASGGRKMIETCVERLKAGNYQTQLIAVTVLTSMGREDLKDIGLDIEPVEQVKRLAKLTKESGLDGVVCSAQEAKILRELIGQDFSLVTPGIRPEGSNADDQKRIVTPKQAMLDGSTHLVIGRPITKAENPTEMLKSILASIA
Complex: U5P_A_3(3UWQ) / Model_2(3UWQ/A) = [6.1] Download1050.1314.32MSIIVALDAKSQYDALKIVEQLDPTLCRVKVGKELFTHEGPSVVKKLQEENFEVFLDLKFHDIPNTTAQAVCAAADLGVWMVNVHASGGRKMIETCVERLKAGNYQTQLIAVTVLTSMGREDLKDIGLDIEPVEQVKRLAKLTKESGLDGVVCSAQEAKILRELIGQDFSLVTPGIRPEGSNADDQKRIVTPKQAMLDGSTHLVIGRPITKAENPTEMLKSILASIA
Complex: C5P_A_3(2YYU) / Model_9(2YYU/A) = [4.2] Download853.4916.05MSIIVALDAKSQYDALKIVEQLDPTLCRVKVGKELFTHEGPSVVKKLQEENFEVFLDLKFHDIPNTTAQAVCAAADLGVWMVNVHASGGRKMIETCVERLKAGNYQTQLIAVTVLTSMGREDLKDIGLDIEPVEQVKRLAKLTKESGLDGVVCSAQEAKILRELIGQDFSLVTPGIRPEGSNADDQKRIVTPKQAMLDGSTHLVIGRPITKAENPTEMLKSILASIA
Consensus
[pKd Mean = 5.57]		-954
(s=80)		17
(s=2)		MSIIVALDAKSQYDALKIVEQLDPTLCRVKVGKELFTHEGPSVVKKLQEENFEVFLDLKFHDIPNTTAQAVCAAADLGVWMVNVHASGGRKMIETCVERLKAGNYQTQLIAVTVLTSMGREDLKDIGLDIEPVEQVKRLAKLTKESGLDGVVCSAQEAKILRELIGQDFSLVTPGIRPEGSNADDQKRIVTPKQAMLDGSTHLVIGRPITKAENPTEMLKSILASIA



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]
ALA6CB31315[O], 2[P], 14[C],
ALA6N434[C],
ALA6CA1339[C], 4[O],
ALA6O331[O], 2[C],
ALA6C734[C], 3[O],
ASP8OD23232[P], 15[O], 15[C],
ASP8CB734[C], 3[O],
ASP8CG2039[O], 11[C],
ASP8OD11736[O], 11[C],
LYS30CG333[O],
LYS30NZ27316[C], 1[N], 10[O],
LYS30CB131[O],
LYS30CD1637[O], 9[C],
LYS30CE28310[O], 1[N], 17[C],
GLY32N131[O],
GLY32CA131[O],
PHE55CE2131[O],
PHE55CZ131[O],
ASP57CB232[O],
ASP57OD21731[N], 8[O], 8[C],
ASP57CG731[N], 4[O], 2[C],
ASP57OD1432[C], 2[O],
LYS59CG131[O],
LYS59NZ1637[O], 2[N], 7[C],
LYS59CE1336[C], 5[O], 2[N],
LYS59CD432[O], 2[C],
ASN83ND2131[O],
VAL112CG1331[O], 2[C],
VAL112CG2231[O], 1[C],
VAL112CB131[C],
VAL114C231[O], 1[C],
VAL114O231[O], 1[C],
LEU115CD2834[C], 2[N], 2[O],
LEU115C432[C], 1[N], 1[O],
LEU115N231[O], 1[C],
LEU115CD1231[C], 1[O],
LEU115CB431[O], 1[N], 2[C],
LEU115CG431[N], 1[O], 2[C],
LEU115O331[C], 1[N], 1[O],
LEU115CA432[C], 1[O], 1[N],
THR116C933[C], 3[O], 3[N],
THR116CA1234[N], 3[O], 5[C],
THR116CG21634[O], 4[N], 8[C],
THR116CB1835[N], 5[O], 8[C],
THR116OG12535[O], 7[N], 13[C],
THR116N1235[C], 3[N], 4[O],
THR116O331[O], 2[N],
SER117N933[C], 3[N], 3[O],
SER117OG333[N],
SER117CB433[N], 1[C],
SER117CA332[N], 1[C],
VAL152CG2231[C], 1[O],
VAL152C131[O],
VAL152CB532[O], 3[C],
VAL152CG1833[C], 2[N], 3[O],
VAL152O131[O],
CYS153C131[O],
CYS153O231[C], 1[O],
CYS153N131[O],
CYS153CA131[O],
PRO174CB41313[O], 6[N], 22[C],
PRO174N1438[C], 3[N], 3[O],
PRO174CG30310[O], 6[N], 14[C],
PRO174CA27314[C], 5[N], 8[O],
PRO174C2137[O], 5[N], 9[C],
PRO174CD2038[O], 4[N], 8[C],
PRO174O633[C], 2[N], 1[O],
GLY175N40315[O], 6[N], 3[P], 16[C],
GLY175C632[C], 4[O],
GLY175CA26311[O], 5[N], 1[P], 9[C],
ILE176N731[P], 5[O], 1[C],
ILE176C433[O], 1[P],
ILE176O1033[P], 7[O],
ILE176CG1131[O],
ILE176CB232[O],
ILE176CA232[O],
ARG177NE1133[P], 8[O],
ARG177CG131[O],
ARG177CZ1533[P], 12[O],
ARG177CD635[O], 1[P],
ALA183O131[O],
ASP184CB131[O],
ASP184CG131[O],
ASP184OD2232[O],
ASP185OD1131[O],
GLN186CG433[O], 1[P],
GLN186CD832[C], 1[P], 1[N], 4[O],
GLN186N131[O],
GLN186NE21536[C], 1[P], 2[N], 6[O],
GLN186CA131[O],
GLN186OE1732[C], 2[N], 3[O],
GLN186CB131[O],
ARG188CG131[N],
ARG188CD131[N],
ARG188CZ131[N],
ARG188NE131[N],
VAL204O1937[C], 3[P], 9[O],
VAL204CG132313[O], 2[N], 17[C],
VAL204CB1539[C], 1[N], 5[O],
VAL204CA533[O], 2[C],
VAL204C1535[C], 9[O], 1[P],
VAL204CG2531[C], 4[O],
ILE205CB433[O], 1[C],
ILE205C1936[C], 3[P], 10[O],
ILE205CA1433[C], 3[P], 8[O],
ILE205CD1131[O],
ILE205CG1333[O],
ILE205O1635[C], 8[O], 3[P],
ILE205N1137[O], 1[P], 3[C],
ILE205CG2331[P], 2[O],
GLY206O1037[O], 3[P],
GLY206N2537[C], 15[O], 3[P],
GLY206C18312[O], 3[P], 3[C],
GLY206CA23313[O], 3[P], 7[C],
ARG207CZ1632[C], 3[P], 11[O],
ARG207N1833[C], 3[P], 12[O],
ARG207CA1233[P], 9[O],
ARG207C732[P], 5[O],
ARG207CB1239[O], 3[P],
ARG207NE17312[O], 3[P], 2[C],
ARG207CD1533[P], 11[O], 1[C],
ARG207CG1233[P], 9[O],
PRO208CG1239[O], 3[P],
PRO208CD1433[P], 11[O],
PRO208N933[P], 6[O],
PRO208CB331[P], 2[O],
THR210OG1131[O],
Total = 127



Download csv file of statistical distribution of contacts