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 :C1_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 C1_S1
Complex: EDO_A_13(4OP4) / Model_8(4OP4/A) = [3.4] Download381.42-3.67MNHSDTLSLSLELLQQPSVTPIDHTCQTIMADRLAKVGFHIEPMRFGDVDNLWARRGTEGPVFCFAGHTDVVPTGRLDAWNSDPFAPEIRDGKLYGRGSADMKTALAAMVVASERFVAKHPNHKGSIAFLITSDEEGPAVNGTVKVIETLEKRNEKITWCLVGEPSSTHKLGDIVKNGRRGSLNAVLKVQGKQGHVAYPHLARNPIHEASPALAELCQTVWDNGNEYFPATSFQISNIHAGTGATNVIPGTLEVTFNFRYSTEVTAEQLKQRVHEILDKHGLQYEIVWNLSGLPFLTPVGELVNAAQTAILNVTGTETELSTSGGTSDGRFIAPTGAQVLELGVLNATIHQINEHVDVHDLDPLTDIYEQILENLLA
Consensus
[pKd Mean = 3.40]		-381
(s=0)		-3
(s=0)		MNHSDTLSLSLELLQQPSVTPIDHTCQTIMADRLAKVGFHIEPMRFGDVDNLWARRGTEGPVFCFAGHTDVVPTGRLDAWNSDPFAPEIRDGKLYGRGSADMKTALAAMVVASERFVAKHPNHKGSIAFLITSDEEGPAVNGTVKVIETLEKRNEKITWCLVGEPSSTHKLGDIVKNGRRGSLNAVLKVQGKQGHVAYPHLARNPIHEASPALAELCQTVWDNGNEYFPATSFQISNIHAGTGATNVIPGTLEVTFNFRYSTEVTAEQLKQRVHEILDKHGLQYEIVWNLSGLPFLTPVGELVNAAQTAILNVTGTETELSTSGGTSDGRFIAPTGAQVLELGVLNATIHQINEHVDVHDLDPLTDIYEQILENLLA



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]
HIS68O111[O],
HIS68NE2412[O], 2[C],
HIS68CG412[C], 2[O],
HIS68CA111[O],
HIS68CB211[C], 1[O],
HIS68CE1412[C], 2[O],
HIS68ND1412[O], 2[C],
HIS68CD2412[C], 2[O],
HIS68N111[O],
ASP70OD1111[O],
ASP70OD2111[O],
ASP70CG111[O],
ASP70O111[O],
ASP70C111[O],
VAL71CA111[O],
VAL71N111[O],
VAL71C111[O],
VAL72CG1412[C], 2[O],
VAL72N212[O],
VAL72CB212[O],
VAL72CG2212[O],
ALA100O111[O],
ASP101CB412[O], 2[C],
ASP101C412[O], 2[C],
ASP101OD1412[O], 2[C],
ASP101OD2412[O], 2[C],
ASP101CA412[C], 2[O],
ASP101N212[O],
ASP101O412[C], 2[O],
ASP101CG412[O], 2[C],
MET102CB211[C], 1[O],
MET102N311[C], 2[O],
MET102CG211[C], 1[O],
MET102CA211[C], 1[O],
MET102SD211[C], 1[O],
GLU135N211[O], 1[C],
GLU135OE2412[O], 2[C],
GLU135CG412[C], 2[O],
GLU135O412[O], 2[C],
GLU135OE1412[O], 2[C],
GLU135CD412[O], 2[C],
GLU135CA311[O], 2[C],
GLU135C412[C], 2[O],
GLU135CB412[C], 2[O],
GLU136CD412[O], 2[C],
GLU136N412[O], 2[C],
GLU136CG412[O], 2[C],
GLU136CA412[C], 2[O],
GLU136OE2412[C], 2[O],
GLU136O412[C], 2[O],
GLU136C412[O], 2[C],
GLU136CB412[C], 2[O],
GLU136OE1412[O], 2[C],
GLY137O111[O],
GLY137N211[O], 1[C],
VAL162CG1111[C],
GLU164OE1412[C], 2[O],
GLU164CA412[C], 2[O],
GLU164C412[C], 2[O],
GLU164N211[O], 1[C],
GLU164CD412[C], 2[O],
GLU164O111[C],
GLU164OE2412[C], 2[O],
GLU164CG412[O], 2[C],
GLU164CB412[O], 2[C],
PRO165N412[O], 2[C],
PRO165CD412[O], 2[C],
PRO165O312[C], 1[O],
PRO165CB412[O], 2[C],
PRO165CG412[O], 2[C],
PRO165CA212[C],
PRO165C111[C],
Total = 72



Download csv file of statistical distribution of contacts