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 :C3_S1
Best Complexes choosen after comparative docking [pKd > 3] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)
Hydrophobicity
Score(FPocket)
Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: AP5_B_8(2QAJ) / Model_26(2QAJ/B) = [15.2] Download1521.7811.62MNLLIMGLPGAGKGTQAAKIVEQFHVAHISTGDMFRAAMANQTEMGVLAKSYIDKGELVPDEVTNGIVKERLSQDDIKETGFLLDGYPRTIEQAHALDKTLAELGIELEGIINIEVNPDSLLERLSGRIIHRVTGETFHKVFNPPVDYKEEDYYQREDDKPETVKRRLDVNIAQGEPIIAHYRAKGLVHDIEGNQDINDVFSDIEKVLTNLK
Complex: ADP_A_3(3SR0) / Model_72(3SR0/A) = [9.3] Download807.015.37MNLLIMGLPGAGKGTQAAKIVEQFHVAHISTGDMFRAAMANQTEMGVLAKSYIDKGELVPDEVTNGIVKERLSQDDIKETGFLLDGYPRTIEQAHALDKTLAELGIELEGIINIEVNPDSLLERLSGRIIHRVTGETFHKVFNPPVDYKEEDYYQREDDKPETVKRRLDVNIAQGEPIIAHYRAKGLVHDIEGNQDINDVFSDIEKVLTNLK
Consensus
[pKd Mean = 12.25]
-1164
(s=357)
8
(s=3)
MNLLIMGLPGAGKGTQAAKIVEQFHVAHISTGDMFRAAMANQTEMGVLAKSYIDKGELVPDEVTNGIVKERLSQDDIKETGFLLDGYPRTIEQAHALDKTLAELGIELEGIINIEVNPDSLLERLSGRIIHRVTGETFHKVFNPPVDYKEEDYYQREDDKPETVKRRLDVNIAQGEPIIAHYRAKGLVHDIEGNQDINDVFSDIEKVLTNLK



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]
LEU4CD1121[N],
ILE5CG2624[O], 2[P],
ILE5CD1222[O],
PRO9CG20213[O], 2[C], 5[P],
PRO9CD15210[O], 5[P],
LYS13NZ3023[C], 6[P], 1[N], 20[O],
LYS13CE2821[C], 7[P], 1[N], 19[O],
LYS13CD2326[P], 17[O],
LYS13CG2827[P], 21[O],
THR15OG154220[O], 20[C], 4[P], 10[N],
THR15CG246214[O], 10[N], 2[P], 20[C],
GLN16NE21126[N], 4[C], 1[O],
GLN16CD1224[N], 6[C], 2[O],
GLN16OE11321[O], 6[N], 6[C],
GLN16CG1324[N], 1[P], 6[C], 2[O],
LYS19NZ222[N],
HIS28NE2222[O],
HIS28CE1323[O],
SER30OG1822[C], 4[P], 2[N], 10[O],
THR31OG12225[N], 1[P], 10[C], 6[O],
THR31CG21322[O], 5[N], 6[C],
ASP33OD2424[O],
ASP33OD11229[O], 2[P], 1[C],
ASP33CG625[O], 1[P],
PHE35CD122210[C], 1[P], 5[N], 6[O],
PHE35CE120210[C], 5[N], 5[O],
PHE35CZ1622[O], 5[N], 9[C],
PHE35CD21424[N], 8[C], 2[O],
PHE35CE21522[O], 8[C], 5[N],
PHE35CG1823[O], 5[N], 10[C],
ARG36CD922[C], 1[P], 6[O],
ARG36CG824[C], 1[P], 3[O],
ARG36NE1127[O], 2[P], 2[C],
ARG36CZ1925[C], 3[P], 11[O],
MET39SD221[C], 1[O],
TYR52CD1121[O],
TYR52CG521[N], 3[C], 1[O],
TYR52CD2221[N], 1[O],
ILE53CG21521[N], 1[P], 7[C], 6[O],
ILE53CG11624[O], 9[C], 3[N],
ILE53CD11823[N], 1[P], 9[C], 5[O],
GLU57CG121[O],
GLU57OE2121[O],
LEU58CD22025[O], 5[N], 10[C],
LEU58CG1725[N], 9[C], 3[O],
LEU58CD11322[O], 4[N], 7[C],
VAL59CG21924[O], 5[N], 10[C],
VAL59CG11427[C], 5[N], 2[O],
PRO60CD422[N], 2[C],
PRO60CG221[N], 1[C],
ASP61OD2221[N], 1[C],
ASP61CG522[C], 3[N],
ASP61OD1724[C], 3[N],
VAL63CG1321[C], 2[N],
THR64CG21225[N], 6[C], 1[O],
THR64OG11427[C], 5[N], 2[O],
ILE67CG1121[N],
ILE67CD1724[C], 3[N],
VAL68CG2523[N], 2[C],
ASP85CG2125[P], 16[O],
ASP85OD128220[O], 1[N], 6[P], 1[C],
ASP85OD225218[O], 7[P],
TYR87CD11025[C], 5[N],
TYR87CZ422[C], 2[N],
TYR87CE1824[C], 4[N],
TYR87CD2522[C], 3[N],
TYR87CE2322[N], 1[C],
TYR87CG924[N], 5[C],
PRO88CG121[N],
PRO88CD121[N],
ARG89NE27210[C], 2[P], 5[N], 10[O],
ARG89CD25210[C], 2[P], 5[N], 8[O],
ARG89CZ3125[N], 3[P], 10[C], 13[O],
ARG89CG1926[O], 5[N], 8[C],
THR90OG1422[N], 2[C],
THR90CG2723[N], 4[C],
GLN93CD1025[N], 5[C],
GLN93CG724[C], 3[N],
GLN93OE11025[C], 5[N],
GLN93NE21025[N], 5[C],
ILE114CD1721[P], 1[N], 5[O],
ILE114CG1322[O], 1[P],
ILE114CG21022[C], 4[N], 1[P], 3[O],
VAL116CG1721[O], 3[C], 3[N],
VAL116CG21021[O], 4[N], 5[C],
SER120OG121[C],
LEU121CD21328[O], 3[C], 2[P],
GLU123CG321[C], 1[N], 1[O],
GLU123CD221[N], 1[C],
GLU123OE1221[N], 1[C],
ARG124CD50216[O], 10[N], 4[P], 20[C],
ARG124NE42210[N], 2[P], 20[C], 10[O],
ARG124CG42220[C], 2[P], 10[N], 10[O],
ARG124CZ40220[C], 2[P], 10[N], 8[O],
LEU125CD12124[C], 4[P], 13[O],
LEU125CD240224[O], 6[P], 10[C],
LEU125CG31218[O], 7[C], 6[P],
ARG128NE4226[P], 10[C], 26[O],
ARG128CZ44227[O], 10[C], 7[P],
ARG128CG35210[C], 5[P], 2[N], 18[O],
ARG128CD4222[N], 5[P], 12[C], 23[O],
ILE129CG1421[C], 3[O],
ILE129CG2121[O],
ILE129CD1222[O],
ILE130CD1222[O],
ILE130CG2421[C], 3[O],
ILE130CG1121[O],
THR137OG143219[O], 4[N], 5[P], 15[C],
THR137CG237211[C], 5[P], 1[N], 20[O],
PHE138CG824[C], 4[O],
PHE138CD1424[O],
PHE138CE2121[O],
PHE138CD2423[O], 1[C],
PHE138CE1121[O],
HIS139CG3628[O], 8[N], 20[C],
HIS139NE228216[C], 5[N], 7[O],
HIS139CE12326[O], 12[C], 5[N],
HIS139ND12826[O], 16[C], 6[N],
HIS139CD23528[O], 19[C], 8[N],
VAL141CG1121[C],
PHE142CG34218[C], 10[N], 6[O],
PHE142CE12423[O], 13[C], 8[N],
PHE142CD12724[O], 14[C], 9[N],
PHE142CZ1922[O], 10[C], 7[N],
PHE142CE22423[O], 14[C], 7[N],
PHE142CD231210[N], 16[C], 5[O],
ASN143CG2325[O], 12[C], 6[N],
ASN143OD1922[N], 5[C], 2[O],
ASN143ND22526[O], 14[C], 5[N],
PRO144CD121[O],
ARG156CD16211[O], 3[P], 2[C],
ARG156CZ29219[O], 7[P], 3[C],
ARG156CG523[O], 1[C], 1[P],
ARG156NE20214[O], 3[C], 3[P],
ASP158CG18210[O], 5[C], 3[P],
ASP158OD221212[O], 5[C], 3[P], 1[N],
ASP158OD11523[C], 3[P], 9[O],
ASP159CG1521[P], 5[C], 9[O],
ASP159OD11822[P], 5[C], 11[O],
ASP159OD21528[O], 1[P], 6[C],
THR163CG2321[C], 2[O],
VAL164CG2121[O],
ARG167CZ23214[O], 4[C], 5[P],
ARG167NE22214[O], 5[C], 3[P],
ARG167CG1525[C], 2[P], 8[O],
ARG167CD1723[P], 4[C], 10[O],
LEU168CD2121[O],
VAL170CG1622[O], 3[C], 1[N],
VAL170CG2121[O],
ASN171ND22525[N], 2[P], 10[C], 8[O],
ASN171OD12329[O], 9[C], 2[P], 3[N],
ASN171CG2324[N], 2[P], 9[C], 8[O],
ASN194CG422[C], 2[N],
ASN194OD1724[N], 3[C],
GLN195CG421[C], 3[N],
GLN195CD121[N],
GLN195NE2121[N],
ASP196OD11126[C], 5[N],
ASP196OD2422[N], 2[C],
ASP196CG1025[N], 5[C],
ILE197CG134216[C], 10[N], 8[O],
ILE197CD137218[C], 10[N], 9[O],
ILE197CG22421[O], 13[C], 10[N],
VAL200CG11125[C], 6[N],
VAL200CG21626[N], 10[C],
Total = 165



Download csv file of statistical distribution of contacts