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 :C5_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 C5_S1
Complex: ADE_A_7(4XGP) / Model_15(4XGP/A) = [5.5] Download927.3818.07MNILIANDDGVFAPGIQALADALKPLGRVVVVAPESERSGFSSALTLDRPLRPIQIAEDVWAVNGTPADCVYLSMNGLFDFEFDLVVSGINRGANLGDDVLYSGTVGAAFEGRLMKQPAIAVSLAGPDVRSYDHKDDYAQAAKWVHDFITKGLPALPPRHIFNINIPDVPQLKGTQITYQGRRAQSKPITSHVDPRGRQVYWIGLAGEAVTDPQRIASQIQSDFFAVANGFVSVTPIQMDATNYAVLEDLQASLG
Complex: ADN_A_7(4XJ7) / Model_11(4XJ7/A) = [3.2] Download1010.643.85MNILIANDDGVFAPGIQALADALKPLGRVVVVAPESERSGFSSALTLDRPLRPIQIAEDVWAVNGTPADCVYLSMNGLFDFEFDLVVSGINRGANLGDDVLYSGTVGAAFEGRLMKQPAIAVSLAGPDVRSYDHKDDYAQAAKWVHDFITKGLPALPPRHIFNINIPDVPQLKGTQITYQGRRAQSKPITSHVDPRGRQVYWIGLAGEAVTDPQRIASQIQSDFFAVANGFVSVTPIQMDATNYAVLEDLQASLG
Consensus
[pKd Mean = 4.35]		-969
(s=41)		10
(s=7)		MNILIANDDGVFAPGIQALADALKPLGRVVVVAPESERSGFSSALTLDRPLRPIQIAEDVWAVNGTPADCVYLSMNGLFDFEFDLVVSGINRGANLGDDVLYSGTVGAAFEGRLMKQPAIAVSLAGPDVRSYDHKDDYAQAAKWVHDFITKGLPALPPRHIFNINIPDVPQLKGTQITYQGRRAQSKPITSHVDPRGRQVYWIGLAGEAVTDPQRIASQIQSDFFAVANGFVSVTPIQMDATNYAVLEDLQASLG



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]
ASP8CG322[C], 1[O],
ASP8OD1321[O], 2[C],
ASP8OD2623[O], 3[C],
SER39OG624[C], 2[O],
SER42OG121[O],
ASN91CG321[O], 2[C],
ASN91ND2824[C], 4[O],
ASN91OD1322[C], 1[O],
ASN95ND21424[O], 3[N], 7[C],
ASN95OD1924[O], 5[C],
ASN95CG925[C], 4[O],
ASP98CG321[N], 2[C],
ASP98OD1621[O], 2[N], 3[C],
ASP98OD2121[C],
ASP99OD12924[O], 10[N], 15[C],
ASP99OD228215[C], 9[N], 4[O],
ASP99CG2824[O], 9[N], 15[C],
VAL100CG1121[O],
VAL100CG2222[O],
TYR102CE11922[O], 10[C], 7[N],
TYR102CD12629[N], 13[C], 4[O],
TYR102CE222211[C], 8[N], 3[O],
TYR102CD226213[C], 9[N], 4[O],
TYR102CG28214[C], 10[N], 4[O],
TYR102CZ18210[C], 6[N], 2[O],
SER103OG824[O], 4[C],
THR105OG1422[C], 2[O],
VAL106CG2121[O],
ARG183CZ821[O], 3[N], 4[C],
ARG183CD1821[O], 10[C], 7[N],
ARG183NE1925[N], 12[C], 2[O],
ARG183CG522[N], 2[C], 1[O],
GLN185NE2121[N],
GLN185CG421[C], 3[N],
GLN185CD121[N],
SER186OG2321[O], 10[N], 12[C],
PRO188CG824[N], 4[C],
PRO188CD1126[N], 5[C],
ILE203CG222211[C], 10[N], 1[O],
ILE203CD11728[N], 9[C],
ILE203CG11426[N], 8[C],
LEU205CD1422[C], 2[N],
LEU205CD21521[O], 8[C], 6[N],
LEU205CG1225[N], 7[C],
Total = 44



Download csv file of statistical distribution of contacts