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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: OGA_J_12(4IW3) / Model_28(4IW3/J) = [3.4] Download270.6319.53MHSQPLLDCWNLDQILDDLNAHGFAIVNQAYSAEYHTQVAKECSHHFDEFREAGIQNGVVSTIRSDHILWINESLPVAEQHVETLTSFCQHLNQAFFLGIKEVEAHFACYNPGEFYALHRDNPQQKNDRIMSTVYYLHPQWQDDWGGQLRLQDKNDIWHIITPEPNRLVIFQSNLLHEVLVSKQQRLSITAWLRSGNSIWV
Consensus
[pKd Mean = 3.40]		-270
(s=0)		19
(s=0)		MHSQPLLDCWNLDQILDDLNAHGFAIVNQAYSAEYHTQVAKECSHHFDEFREAGIQNGVVSTIRSDHILWINESLPVAEQHVETLTSFCQHLNQAFFLGIKEVEAHFACYNPGEFYALHRDNPQQKNDRIMSTVYYLHPQWQDDWGGQLRLQDKNDIWHIITPEPNRLVIFQSNLLHEVLVSKQQRLSITAWLRSGNSIWV



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]
ALA53CB111[O],
ARG64CD512[C], 3[O],
ARG64NE612[C], 3[O], 1[N],
ARG64CZ611[N], 3[O], 2[C],
ARG64CB111[O],
ARG64CG412[O], 2[C],
ASP66OD1712[C], 1[N], 4[O],
ASP66CB312[O], 1[C],
ASP66CG714[O], 1[N], 2[C],
ASP66OD2911[N], 4[O], 4[C],
ILE68CG2111[O],
HIS106O111[O],
HIS106CG211[O], 1[C],
HIS106CD2311[C], 2[O],
HIS106ND1312[O], 1[C],
HIS106CE1611[N], 3[O], 2[C],
HIS106NE2511[N], 2[O], 2[C],
ALA108CA212[O],
ALA108CB813[O], 1[N], 4[C],
ALA108C111[O],
ALA108O111[O],
ALA108N212[O],
TYR110CZ1015[O], 1[N], 4[C],
TYR110CE11014[C], 1[N], 5[O],
TYR110CD1411[C], 2[O], 1[N],
TYR110CG311[C], 2[O],
TYR110CD2814[C], 3[O], 1[N],
TYR110CE21015[O], 1[N], 4[C],
TYR110CB111[O],
TYR116CE1612[C], 1[N], 3[O],
TYR116CA813[C], 4[O], 1[N],
TYR116CB1011[N], 5[O], 4[C],
TYR116C211[C], 1[O],
TYR116CE2914[C], 1[N], 4[O],
TYR116N512[O], 1[N], 2[C],
TYR116CG911[N], 4[O], 4[C],
TYR116CD1713[C], 1[N], 3[O],
TYR116CZ711[N], 3[O], 3[C],
TYR116O513[C], 1[N], 1[O],
TYR116CD21015[O], 1[N], 4[C],
ALA117N111[O],
ALA117C111[O],
ALA117O311[C], 2[O],
HIS119N111[O],
HIS119CA111[O],
HIS119NE2914[O], 1[N], 4[C],
HIS119ND1713[O], 1[N], 3[C],
HIS119CE1914[C], 1[N], 4[O],
HIS119O311[C], 2[O],
HIS119CB412[C], 2[O],
HIS119C212[O],
HIS119CG613[O], 1[N], 2[C],
HIS119CD2713[O], 1[N], 3[C],
ARG120C212[O],
ARG120N111[O],
ARG120O212[O],
ASP121C111[O],
ASP121CB513[O], 2[C],
ASP121OD2713[C], 1[N], 3[O],
ASP121N412[C], 2[O],
ASP121CG711[N], 3[O], 3[C],
ASP121OD1713[O], 1[N], 3[C],
ASP121CA412[O], 2[C],
ASP121O111[O],
ARG129CZ111[O],
SER132CB713[C], 3[O], 1[N],
SER132OG412[C], 2[O],
THR133O511[O], 1[N], 3[C],
THR133C614[C], 1[N], 1[O],
VAL134C512[C], 2[O], 1[N],
VAL134N911[N], 4[O], 4[C],
VAL134O511[N], 2[O], 2[C],
VAL134CG21014[C], 5[O], 1[N],
VAL134CA914[C], 1[N], 4[O],
VAL134CG11014[C], 5[O], 1[N],
VAL134CB1015[O], 1[N], 4[C],
TYR135N512[C], 2[O], 1[N],
TYR135O311[C], 2[O],
TYR135C311[C], 2[O],
TYR135CA311[C], 2[O],
TYR136CZ713[C], 3[O], 1[N],
TYR136CD1512[C], 2[O], 1[N],
TYR136CE2512[O], 1[N], 2[C],
TYR136CE1711[N], 3[O], 3[C],
TYR136CD2412[C], 2[O],
TYR136CB311[C], 2[O],
TYR136CG412[C], 2[O],
TYR136N311[C], 2[O],
TYR136CA312[O], 1[C],
GLY147O412[C], 2[O],
GLY147C311[C], 2[O],
GLN148CA311[C], 2[O],
GLN148O412[O], 2[C],
GLN148C412[C], 2[O],
GLN148CB111[O],
GLN148N211[C], 1[O],
LEU149CA711[N], 3[O], 3[C],
LEU149N512[C], 2[O], 1[N],
LEU149C412[C], 2[O],
LEU149O312[C], 1[O],
LEU149CD2713[C], 1[N], 3[O],
LEU149CD11014[C], 5[O], 1[N],
LEU149CB711[N], 3[O], 3[C],
LEU149CG713[C], 1[N], 3[O],
ARG150O311[C], 2[O],
ARG150N412[C], 2[O],
ARG150CA111[O],
LEU151CD2611[N], 2[O], 3[C],
LEU151CG111[C],
ILE161CG1111[O],
ILE161C111[O],
ILE161N111[O],
ILE161CA111[O],
ILE161CG2211[C], 1[O],
ILE161CB211[O], 1[C],
ILE161O211[O], 1[C],
ILE161CD1111[O],
THR162O111[O],
THR162C111[O],
THR162N111[O],
PRO163CA311[C], 2[O],
PRO163N211[C], 1[O],
PRO163C111[O],
PRO163CD111[O],
PRO163CB311[C], 2[O],
PRO163CG312[O], 1[C],
VAL169CG2311[O], 2[C],
VAL169N111[O],
VAL169CA111[O],
VAL169CB312[C], 1[O],
VAL169CG1312[C], 1[O],
PHE171CE2613[C], 2[O], 1[N],
PHE171CZ914[C], 4[O], 1[N],
PHE171CD1411[N], 1[O], 2[C],
PHE171CD2111[O],
PHE171CE1814[C], 1[N], 3[O],
LEU175O111[O],
LEU176C111[O],
HIS177CA412[C], 1[N], 1[O],
HIS177CE1814[C], 3[O], 1[N],
HIS177CB811[N], 3[O], 4[C],
HIS177CG1014[C], 5[O], 1[N],
HIS177C612[O], 1[N], 3[C],
HIS177ND1811[N], 3[O], 4[C],
HIS177CD21014[C], 1[N], 5[O],
HIS177O511[N], 2[O], 2[C],
HIS177NE21014[C], 1[N], 5[O],
HIS177N211[C], 1[O],
GLU178CA714[C], 1[N], 2[O],
GLU178O713[C], 3[O], 1[N],
GLU178C811[N], 3[O], 4[C],
GLU178N813[O], 1[N], 4[C],
GLU178CB111[O],
VAL179N814[C], 3[O], 1[N],
VAL179CG21011[N], 5[O], 4[C],
VAL179O512[C], 3[O],
VAL179CA813[O], 1[N], 4[C],
VAL179CB1011[N], 5[O], 4[C],
VAL179CG1914[C], 4[O], 1[N],
VAL179C613[O], 1[N], 2[C],
LEU180N412[O], 2[C],
ARG186CG312[O], 1[C],
ARG186C111[O],
ARG186O111[O],
ARG186NE512[O], 1[N], 2[C],
ARG186CZ711[N], 3[O], 3[C],
ARG186CB111[O],
ARG186CD412[C], 2[O],
LEU187C111[O],
LEU187O312[O], 1[C],
SER188N312[O], 1[C],
SER188O111[O],
SER188C211[C], 1[O],
SER188CB713[C], 3[O], 1[N],
SER188CA312[O], 1[C],
SER188OG814[C], 3[O], 1[N],
ILE189O613[O], 1[N], 2[C],
ILE189C512[C], 1[N], 2[O],
ILE189CA111[O],
ILE189N211[O], 1[C],
THR190CA1014[C], 1[N], 5[O],
THR190CB1015[O], 1[N], 4[C],
THR190C613[O], 1[N], 2[C],
THR190O411[C], 1[N], 2[O],
THR190CG21015[O], 1[N], 4[C],
THR190OG11011[N], 5[O], 4[C],
THR190N813[O], 1[N], 4[C],
ALA191O312[O], 1[C],
ALA191C312[O], 1[C],
ALA191CA312[O], 1[C],
ALA191N512[C], 2[O], 1[N],
TRP192CG311[C], 2[O],
TRP192NE1711[N], 3[O], 3[C],
TRP192CE2612[C], 3[O], 1[N],
TRP192CZ2713[C], 3[O], 1[N],
TRP192CD2412[C], 2[O],
TRP192CD1512[C], 3[O],
TRP192CE3311[C], 2[O],
TRP192CZ3412[O], 2[C],
Total = 199



Download csv file of statistical distribution of contacts