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: RIP_E_12(1OGD) / Model_35(1OGD/E) = [3.1] Download852.8531.55MKKGKVINSDISRVIAQMGHFDKLSIGDAGMPVPFGTEKIDLAVSNGLPSFLSVLENVLEELEVQSIELAEEIKTMNPEILEKIKLLLPDTPISFIPHEEMKKELNNCHAFIRTGEMTPYANIILVSGVVF
Consensus
[pKd Mean = 3.10]		-852
(s=0)		31
(s=0)		MKKGKVINSDISRVIAQMGHFDKLSIGDAGMPVPFGTEKIDLAVSNGLPSFLSVLENVLEELEVQSIELAEEIKTMNPEILEKIKLLLPDTPISFIPHEEMKKELNNCHAFIRTGEMTPYANIILVSGVVF



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]
ASP28OD21015[C], 5[O],
ASP28OD11015[O], 5[C],
ASP28CG1015[C], 5[O],
MET31CE311[O], 2[C],
MET31SD512[O], 3[C],
MET31CG914[O], 5[C],
PRO32CG714[C], 3[O],
PRO32CD1015[O], 5[C],
GLU72CG111[C],
ASN77ND2111[O],
HIS98CG1015[C], 5[O],
HIS98ND11015[O], 5[C],
HIS98CD21015[C], 5[O],
HIS98CE11015[C], 5[O],
HIS98NE21015[C], 5[O],
GLU99OE2111[O],
MET101SD211[O], 1[C],
MET101CE211[C], 1[O],
LYS102CE612[O], 4[C],
LYS102CG612[O], 4[C],
LYS102CD715[C], 2[O],
LYS102NZ612[O], 4[C],
LEU105CD1111[O],
PHE111CZ211[C], 1[O],
THR118OG1111[O],
PRO119CD513[O], 2[C],
PRO119CG713[O], 4[C],
TYR120CE11015[O], 5[C],
TYR120CE21015[C], 5[O],
TYR120CD11015[C], 5[O],
TYR120CD21015[C], 5[O],
TYR120CG1015[O], 5[C],
TYR120CZ1015[O], 5[C],
ASN122OD11015[O], 5[C],
ASN122ND21015[C], 5[O],
ASN122CG1015[C], 5[O],
Total = 36



Download csv file of statistical distribution of contacts