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 :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: ABM_F_6(1DKU) / Model_21(1DKU/B) = [3.1] Download1685.18-3.12MSFSDLKLFALSSNKELAERVAQEIGIELGKSSVRQFSDGEIQVNIEESIRGKHVFILQSTSSPVNDNLLEILIMVDALKRASAESVNVVMPYYGYARQDRKARAREPITSKLVANMLEVAGVDRLLTIDLHAAQIQGFFDIPVDHLMGAPLIADYFERRGMVGSDYVVVSPDHGGVTRARKLAEFLKTSIAIIDKRRSVDKMNTSEVMNIIGKVEGKTCILIDDMIDTAGTICHAADALAEAGAVEVYASCTHPVLSGPATDNIQKSAIKKLVVLDTIYLPEERLIDKIEQISIAHLLGDAIVRIHEKRPLSPLFDIEKKI
Consensus
[pKd Mean = 3.10]		-1685
(s=0)		-3
(s=0)		MSFSDLKLFALSSNKELAERVAQEIGIELGKSSVRQFSDGEIQVNIEESIRGKHVFILQSTSSPVNDNLLEILIMVDALKRASAESVNVVMPYYGYARQDRKARAREPITSKLVANMLEVAGVDRLLTIDLHAAQIQGFFDIPVDHLMGAPLIADYFERRGMVGSDYVVVSPDHGGVTRARKLAEFLKTSIAIIDKRRSVDKMNTSEVMNIIGKVEGKTCILIDDMIDTAGTICHAADALAEAGAVEVYASCTHPVLSGPATDNIQKSAIKKLVVLDTIYLPEERLIDKIEQISIAHLLGDAIVRIHEKRPLSPLFDIEKKI



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]
VAL65CG1111[N],
TYR93CZ111[N],
TYR96CD2212[N],
TYR96CE1512[N], 3[C],
TYR96CE2111[N],
TYR96CG513[C], 2[N],
TYR96CD1613[C], 3[N],
TYR96CZ212[N],
ARG98CZ1512[O], 8[C], 5[N],
ARG98NE1911[P], 5[N], 3[O], 10[C],
ARG98CG2215[O], 11[C], 1[P], 5[N],
ARG98CD22111[C], 5[O], 5[N], 1[P],
GLN99NE21312[N], 8[C], 3[O],
GLN99OE11915[N], 10[C], 4[O],
GLN99CG1313[O], 8[C], 2[N],
GLN99CD1418[C], 3[O], 3[N],
ASP100CG811[P], 3[O], 4[C],
ASP100OD2713[O], 3[C], 1[P],
ASP100OD11411[P], 1[N], 6[O], 6[C],
ARG101CG412[C], 2[O],
ARG101CD814[C], 3[O], 1[P],
ARG101CZ1311[P], 6[O], 6[C],
ARG101NE1211[P], 5[C], 6[O],
ARG104CD212[O],
ARG104CG412[O], 2[C],
ARG104CZ311[C], 2[O],
ARG104NE312[O], 1[C],
GLU107CG512[O], 3[C],
GLU107OE21212[N], 3[O], 7[C],
GLU107CD911[N], 5[C], 3[O],
GLU107OE11013[O], 6[C], 1[N],
PRO108CD111[O],
THR110OG1211[N], 1[C],
HIS132NE21311[N], 1[P], 7[C], 4[O],
HIS132CG613[O], 2[C], 1[P],
HIS132CE11014[C], 4[O], 1[N], 1[P],
HIS132ND1811[P], 3[C], 4[O],
HIS132CD21115[C], 4[O], 1[N], 1[P],
ASP173CG513[O], 1[C], 1[P],
ASP173OD1411[P], 2[O], 1[C],
ASP173OD2513[O], 1[C], 1[P],
HIS174ND1111[C],
ASP224OD1211[O], 1[C],
ASP224OD2111[C],
ASP225CG111[O],
ASP225OD1311[C], 1[O], 1[P],
ASP225OD2111[O],
MET226SD412[C], 2[N],
MET226CE1516[C], 3[O], 5[N], 1[P],
ASP228CG714[C], 3[N],
ASP228OD1412[C], 2[N],
ASP228OD2914[C], 5[N],
THR229CG2211[N], 1[C],
THR229OG1111[C],
VAL256CG2111[N],
VAL256CG1312[N], 1[C],
SER258OG212[N],
Total = 57



Download csv file of statistical distribution of contacts