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 :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: FAD_B_10(2R9Z) / Model_26(2R9Z/B) = [12.6] Download661.1919.57MKTYDAIIIGSGVSGLSAAYGLKEAGKTVLVVEEDLWGGTCPNRGCDPKKVLLSAVEARNRVKQLSGKGFNEIPTANWEELQKFKRTFTDPVPESRKKQLAEAEIDHLSGTARFLDDSSIEVNEEVFHADYLVLATGQRPTILPVEGKEYLKTSADFLSLPVLPKEIIFIGGGYIAFELATIANAAGSKVTIVHHNQRPLKEFEASLVEEAVHQMEASGIQFAFGVETQKIISEGTRYRLVGKETELVADMIFCATGRQPNTESLALEQANIVFDKHGIAVNDYLQTSNPKIFACGDIVSRKTPKLTPVATFEGNYVAKRITDATSEPIKYPIIPTIVYASPKLAEVGVTKSHASSSDQVVEMDLTSWFTYHRVNEPVAKAELTFDQQNYLIGAAVISEQADELIDDLTLVINQKLTKKELDSYIMGYPTLASDLSYLLK
Consensus
[pKd Mean = 12.60]		-661
(s=0)		19
(s=0)		MKTYDAIIIGSGVSGLSAAYGLKEAGKTVLVVEEDLWGGTCPNRGCDPKKVLLSAVEARNRVKQLSGKGFNEIPTANWEELQKFKRTFTDPVPESRKKQLAEAEIDHLSGTARFLDDSSIEVNEEVFHADYLVLATGQRPTILPVEGKEYLKTSADFLSLPVLPKEIIFIGGGYIAFELATIANAAGSKVTIVHHNQRPLKEFEASLVEEAVHQMEASGIQFAFGVETQKIISEGTRYRLVGKETELVADMIFCATGRQPNTESLALEQANIVFDKHGIAVNDYLQTSNPKIFACGDIVSRKTPKLTPVATFEGNYVAKRITDATSEPIKYPIIPTIVYASPKLAEVGVTKSHASSSDQVVEMDLTSWFTYHRVNEPVAKAELTFDQQNYLIGAAVISEQADELIDDLTLVINQKLTKKELDSYIMGYPTLASDLSYLLK



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]
ILE8CG2111[O],
ILE9CD1714[C], 3[N],
ILE9CG21311[O], 5[N], 7[C],
ILE9CG1814[N], 4[C],
SER11OG1314[O], 2[N], 7[C],
VAL13CG22312[P], 11[O], 2[N], 8[C],
VAL13CG11812[P], 10[O], 5[C], 1[N],
SER14OG711[C], 5[O], 1[P],
LEU16CD2414[O],
SER17OG111[O],
VAL31CG1111[N],
VAL32CG11211[O], 5[N], 6[C],
VAL32CG2714[C], 3[N],
GLU33OE22011[P], 5[O], 4[N], 10[C],
GLU33OE12211[P], 10[C], 4[N], 7[O],
GLU33CG1614[O], 3[N], 9[C],
GLU33CD1911[P], 10[C], 4[N], 4[O],
GLU34OE11518[C], 5[N], 2[O],
GLU34OE21216[C], 5[N], 1[O],
GLU34CG1412[O], 5[N], 7[C],
GLU34CD1311[O], 5[N], 7[C],
ASP35OD2614[C], 2[O],
ASP35OD1412[O], 2[C],
ASP35CG712[O], 1[N], 4[C],
LEU36CG212[O],
TRP37CG111[O],
TRP37CD1111[O],
THR40CG230117[C], 3[N], 8[O], 2[P],
THR40OG132113[O], 1[N], 16[C], 2[P],
CYS41SG2614[N], 15[C], 7[O],
PRO42CG513[O], 1[C], 1[P],
PRO42CD1311[P], 4[C], 8[O],
ASN43CG111[O],
ASN43ND2715[O], 1[C], 1[P],
ARG44CG212[C],
CYS46SG2817[O], 17[C], 4[N],
ASP47OD1512[N], 2[C], 1[O],
PRO48CD511[N], 4[C],
PRO48CG611[N], 5[C],
LYS49CE18112[C], 4[N], 2[O],
LYS49CG1413[N], 10[C], 1[O],
LYS49NZ2113[O], 4[N], 14[C],
LYS49CD1711[O], 4[N], 12[C],
LYS50CD211[O], 1[C],
LYS50NZ111[O],
LYS50CE111[O],
LYS50CG211[C], 1[O],
LEU53CD1311[O], 1[N], 1[C],
LEU53CG111[O],
LYS97NZ111[O],
LEU108CD2111[C],
LEU108CG111[C],
THR111CG21015[N], 5[C],
THR111OG11216[C], 5[N], 1[O],
ARG113CG312[N], 1[C],
ARG113NE111[N],
ARG113CZ111[N],
ARG113CD111[N],
PHE114CE1111[N],
ILE120CD1211[C], 1[N],
VAL122CG1513[N], 2[C],
VAL122CG2513[N], 2[C],
LEU134CD11115[N], 5[C], 1[O],
LEU134CD2111[N],
LEU134CG412[N], 2[C],
THR136OG12111[P], 5[N], 10[C], 5[O],
THR136CG21914[O], 5[N], 10[C],
GLN138NE2512[C], 3[O],
GLN138CG1015[O], 3[C], 2[P],
GLN138CD711[P], 2[C], 4[O],
GLN138OE11114[O], 7[C],
PRO140CD212[C],
PRO140CG313[C],
SER154OG818[C],
PHE157CD2111[C],
PHE157CG111[C],
PHE157CE2111[C],
LEU158CD1616[C],
LEU158CG515[C],
LEU158CD2313[C],
TYR174CE11418[C], 4[N], 2[O],
TYR174CG1514[N], 10[C], 1[O],
TYR174CZ1014[N], 4[C], 2[O],
TYR174CD2211[N], 1[C],
TYR174CD11612[O], 4[N], 10[C],
ILE175CG1918[C], 1[N],
ILE175CD11411[O], 2[N], 11[C],
ILE175CG2818[C],
GLU178CD1319[C], 3[N], 1[O],
GLU178OE21419[C], 4[N], 1[O],
GLU178OE11614[N], 11[C], 1[O],
GLU178CG811[O], 1[N], 6[C],
LEU179CD2313[C],
LEU179CG313[C],
LEU179CD1212[C],
ARG258NE17112[C], 1[N], 4[O],
ARG258CZ2111[P], 6[O], 1[N], 13[C],
ARG258CD1914[O], 1[N], 14[C],
ARG258CG911[N], 8[C],
ASN261ND22117[O], 4[N], 9[C], 1[P],
ASN261OD11213[O], 2[N], 7[C],
ASN261CG1811[P], 9[C], 3[N], 5[O],
THR262CG2111[N],
LEU265CD1713[N], 4[C],
LEU265CG1015[N], 5[C],
LEU265CD21015[N], 5[C],
CYS295SG511[P], 4[O],
ASP297CG24110[O], 2[N], 10[C], 2[P],
ASP297OD12412[P], 11[O], 9[C], 2[N],
ASP297OD225111[C], 2[N], 10[O], 2[P],
ILE298CD1111[O],
ILE298CG1413[O], 1[P],
ILE298CG21112[C], 1[N], 6[O], 2[P],
VAL299CG2111[O],
LYS305CD413[C], 1[O],
LYS305CE111[O],
LYS305CG611[O], 5[C],
LEU306CG1714[N], 9[C], 4[O],
LEU306CD11112[O], 6[C], 3[N],
LEU306CD219111[C], 4[N], 4[O],
THR307CG22111[P], 8[O], 3[N], 9[C],
THR307OG13012[P], 11[O], 13[C], 4[N],
PRO308CD1715[O], 3[N], 9[C],
PRO308CG812[O], 4[C], 2[N],
VAL309CG2312[O], 1[C],
VAL309CG1111[O],
THR311OG1412[O], 2[C],
GLU313OE2111[O],
ILE334CG2111[O],
THR336OG1812[O], 4[C], 2[N],
ILE337CD1111[O],
ILE337CG2111[O],
ILE337CG1111[O],
TYR339CE2511[O], 2[N], 2[C],
TYR339CD11116[C], 3[N], 2[O],
TYR339CG511[O], 2[N], 2[C],
TYR339CZ814[C], 2[N], 2[O],
TYR339CE11212[O], 4[N], 6[C],
TYR339CD2311[O], 1[C], 1[N],
LYS343NZ111[O],
Total = 140



Download csv file of statistical distribution of contacts