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: DCM_A_5(2JAT) / Model_2(2JAT/A) = [5.5] Download751.4419.37MPIIVIIVAGTIGAGKSTLTEMLAQDLETKPFYENVEDNEVLPLFYSNPEKYTFLLQIFFLNKRFLAIKDAFSHDDNVLDRSIYEDSMLFHLNADLGRVSEVEVKQYEGLLETMLKELEEISPQKKPDLLVYIRVSFETMLARIKKRGREYEQLEQDPELYSYYKELNRRYEEWYEQFDICPKIVIDGDKYDFVADPACGEQIVQEIKMRAKKMTEEADAQSIRYTTNNPKAKGIFTTK
Consensus
[pKd Mean = 5.50]		-751
(s=0)		19
(s=0)		MPIIVIIVAGTIGAGKSTLTEMLAQDLETKPFYENVEDNEVLPLFYSNPEKYTFLLQIFFLNKRFLAIKDAFSHDDNVLDRSIYEDSMLFHLNADLGRVSEVEVKQYEGLLETMLKELEEISPQKKPDLLVYIRVSFETMLARIKKRGREYEQLEQDPELYSYYKELNRRYEEWYEQFDICPKIVIDGDKYDFVADPACGEQIVQEIKMRAKKMTEEADAQSIRYTTNNPKAKGIFTTK



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]
THR11CG2111[O],
THR11OG1411[O], 1[P], 2[C],
ILE12CG21416[C], 1[P], 1[N], 6[O],
ILE12CD11919[C], 1[P], 2[N], 7[O],
ILE12CG11911[P], 9[C], 7[O], 2[N],
LYS16NZ1311[P], 6[C], 6[O],
LYS16CD514[O], 1[P],
LYS16CG511[P], 4[O],
LYS16CE814[O], 3[C], 1[P],
SER17OG514[O], 1[P],
TYR33CE1614[O], 1[P], 1[C],
TYR33CE2513[O], 1[P], 1[C],
TYR33CD1511[P], 1[C], 3[O],
TYR33CZ614[O], 1[P], 1[C],
TYR33CG111[O],
TYR33CD2111[O],
GLU34CG111[C],
VAL36CG21511[N], 6[O], 7[C], 1[P],
VAL36CG11311[N], 5[O], 6[C], 1[P],
ASN39OD1111[O],
ASN39ND21212[N], 2[O], 8[C],
ASN39CG711[N], 2[O], 4[C],
LEU42CD11312[N], 4[O], 7[C],
LEU42CG915[C], 3[O], 1[N],
LEU42CD2913[O], 1[N], 5[C],
PHE45CG1012[N], 3[O], 5[C],
PHE45CE11112[O], 3[N], 6[C],
PHE45CE21312[N], 3[O], 8[C],
PHE45CD1814[C], 2[O], 2[N],
PHE45CD21116[C], 2[N], 3[O],
PHE45CZ1413[N], 3[O], 8[C],
TYR46CD2614[C], 2[O],
TYR46CD1911[N], 3[O], 5[C],
TYR46CE11312[N], 4[O], 7[C],
TYR46CZ1314[O], 2[N], 7[C],
TYR46CE21012[N], 3[O], 5[C],
TYR46CG513[C], 2[O],
THR53OG1111[O],
THR53CG2311[N], 1[O], 1[C],
LEU56CD21418[C], 3[O], 3[N],
LEU56CD11217[C], 3[N], 2[O],
LEU56CG1112[O], 3[N], 6[C],
GLN57CD1016[C], 1[O], 3[N],
GLN57NE21116[C], 2[O], 3[N],
GLN57OE11016[C], 1[O], 3[N],
GLN57CG813[N], 1[O], 4[C],
PHE60CG1213[N], 2[O], 7[C],
PHE60CD11217[C], 2[O], 3[N],
PHE60CE11413[N], 2[O], 9[C],
PHE60CE21613[N], 4[O], 9[C],
PHE60CZ1613[N], 4[O], 9[C],
PHE60CD21513[O], 3[N], 9[C],
LEU61CG111[N],
LEU61CD2111[N],
ARG64CD211[C], 1[N],
ARG64CZ813[N], 2[O], 3[C],
ARG64NE411[N], 3[C],
ASP80CG511[P], 4[O],
ASP80OD1614[O], 1[C], 1[P],
ASP80OD2611[C], 1[P], 4[O],
ARG81CG1214[O], 3[N], 1[P], 4[C],
ARG81NE2017[O], 3[N], 1[P], 9[C],
ARG81CZ2011[P], 9[C], 7[O], 3[N],
ARG81CD1815[O], 3[N], 1[P], 9[C],
GLU85OE1411[C], 1[P], 2[O],
ASP86OD11013[N], 2[O], 5[C],
ASP86CG713[N], 4[C],
ASP86OD2512[N], 3[C],
LEU89CD21413[O], 3[N], 8[C],
LEU89CG1212[O], 3[N], 7[C],
LEU89CD11413[N], 3[O], 8[C],
LEU92CD2111[O],
ASN93OD1111[O],
ASN93ND2512[N], 1[O], 2[C],
ASN93CG211[N], 1[O],
TYR107CZ111[N],
TYR107CE2111[N],
TYR107CE1111[N],
MET140CG111[O],
MET140SD111[O],
ILE144CD1511[P], 1[C], 3[O],
ILE144CG1511[P], 1[C], 3[O],
ILE144CG2212[O],
ARG149NE915[O], 1[P], 3[C],
ARG149CG512[O], 3[C],
ARG149CZ312[C], 1[O],
ARG149CD915[O], 1[P], 3[C],
GLU152OE21611[N], 7[O], 7[C], 1[P],
GLU152OE11216[O], 1[P], 5[C],
GLU152CD1311[N], 6[O], 5[C], 1[P],
GLU152CG1211[P], 5[C], 5[O], 1[N],
GLU155OE1111[O],
TYR163CE2812[O], 2[N], 4[C],
TYR163CE1411[O], 1[N], 2[C],
TYR163CZ915[C], 2[N], 2[O],
TYR163CD1111[O],
TYR163CD2412[C], 2[O],
TYR164CE2111[O],
TYR164CE1311[O], 2[C],
TYR164CD1312[C], 1[O],
TYR164CZ211[C], 1[O],
LEU167CD11016[C], 1[O], 3[N],
LEU167CG312[C], 1[O],
LEU167CD21312[N], 4[O], 6[C], 1[P],
TYR171CZ111[O],
TYR171CE1111[O],
Total = 106



Download csv file of statistical distribution of contacts