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 :C2_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 C2_S1
Complex: CMK_A_5(3ETN) / Model_2(3ETN/A) = [5.5] Download1166.727.70MPNPTDFQSSALATLRIEQQAIDVLATQIDDRFNRACEILLQCKGRVVITGMGKSGHIGRKMAATFASTGTPSFFMHPGEAGHGDLGMLVRGDVLIAISNSGKSDEIMMLMPLIKHLGVPLITISRDDKGPMPQNADIALTLGESDEACPLGLAPTSSTTATLVLGDALAVALLEARGFTADDFARSHPAGALGKRLLLHVKHLMHTGEELPKVSPETPMNQVLYEISNKRLGVTTIVDEQDHLLGIFTDGDLRRLIDKQQGFDVNLPVSEVMTKKPSTISQEARAVEALQQLNQKKISQFVVVDDQNKVIGVISMHDLIQAGVN
Consensus
[pKd Mean = 5.50]		-1166
(s=0)		7
(s=0)		MPNPTDFQSSALATLRIEQQAIDVLATQIDDRFNRACEILLQCKGRVVITGMGKSGHIGRKMAATFASTGTPSFFMHPGEAGHGDLGMLVRGDVLIAISNSGKSDEIMMLMPLIKHLGVPLITISRDDKGPMPQNADIALTLGESDEACPLGLAPTSSTTATLVLGDALAVALLEARGFTADDFARSHPAGALGKRLLLHVKHLMHTGEELPKVSPETPMNQVLYEISNKRLGVTTIVDEQDHLLGIFTDGDLRRLIDKQQGFDVNLPVSEVMTKKPSTISQEARAVEALQQLNQKKISQFVVVDDQNKVIGVISMHDLIQAGVN



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]
GLY51N111[O],
GLY51C714[C], 3[O],
GLY51CA512[O], 3[C],
GLY51O412[C], 2[O],
MET52N1516[C], 8[O], 1[P],
MET52SD411[C], 3[O],
MET52CG1211[P], 7[O], 4[C],
MET52O18110[O], 7[C], 1[P],
MET52CB1619[O], 6[C], 1[P],
MET52CA1518[O], 6[C], 1[P],
MET52C1518[O], 6[C], 1[P],
MET52CE311[C], 2[O],
GLY53C1115[O], 6[C],
GLY53N1316[C], 6[O], 1[P],
GLY53O714[C], 3[O],
GLY53CA1116[C], 5[O],
LYS54N1317[C], 6[O],
LYS54CA1116[C], 5[O],
LYS54CB1014[O], 6[C],
LYS54O513[C], 2[O],
LYS54CG412[C], 2[O],
LYS54CD512[C], 3[O],
LYS54C1115[O], 6[C],
LYS54CE111[O],
SER55CA1417[O], 7[C],
SER55OG1818[C], 9[O], 1[P],
SER55C916[C], 3[O],
SER55CB1719[O], 8[C],
SER55N1417[C], 7[O],
SER55O512[O], 3[C],
GLY56CA412[O], 2[C],
GLY56N916[C], 3[O],
GLY56C211[O], 1[C],
HIS57CA111[O],
HIS57CB111[O],
HIS57CD2111[O],
HIS57CG111[O],
HIS57N211[O], 1[C],
ILE58N111[O],
ILE58CG1111[O],
ILE98C914[C], 5[O],
ILE98CA211[O], 1[C],
ILE98CB412[C], 2[O],
ILE98CG2613[C], 3[O],
ILE98N111[O],
ILE98O1316[O], 6[C], 1[P],
SER99N1015[O], 5[C],
SER99O1315[C], 7[O], 1[P],
SER99CA1619[O], 6[C], 1[P],
SER99C1819[O], 8[C], 1[P],
SER99CB1411[P], 5[C], 8[O],
SER99OG1811[P], 9[C], 8[O],
ASN100O1711[P], 7[C], 9[O],
ASN100N2119[C], 11[O], 1[P],
ASN100CB2511[P], 12[C], 12[O],
ASN100C23110[O], 12[C], 1[P],
ASN100CG21110[O], 10[C], 1[P],
ASN100CA2211[P], 11[C], 10[O],
ASN100ND22511[P], 12[C], 12[O],
ASN100OD11318[C], 5[O],
SER101OG34117[C], 3[N], 13[O], 1[P],
SER101O1911[P], 7[O], 3[N], 8[C],
SER101CA3311[P], 13[O], 2[N], 17[C],
SER101CB3411[P], 3[N], 17[C], 13[O],
SER101N3111[P], 14[O], 1[N], 15[C],
SER101C27111[O], 13[C], 2[N], 1[P],
GLY102N1911[P], 9[O], 1[N], 8[C],
GLY102O613[C], 1[N], 2[O],
GLY102C1311[P], 2[N], 5[C], 5[O],
GLY102CA1016[O], 3[C], 1[P],
LYS103N2118[O], 3[N], 9[C], 1[P],
LYS103NZ1615[O], 3[N], 8[C],
LYS103CG2411[P], 10[O], 10[C], 3[N],
LYS103CB1813[N], 7[C], 7[O], 1[P],
LYS103O24111[C], 3[N], 9[O], 1[P],
LYS103CA1913[N], 7[C], 8[O], 1[P],
LYS103CD1811[P], 6[O], 3[N], 8[C],
LYS103CE2213[N], 9[C], 9[O], 1[P],
LYS103C2419[O], 3[N], 11[C], 1[P],
SER104CA26113[C], 3[N], 9[O], 1[P],
SER104N26110[O], 3[N], 12[C], 1[P],
SER104CB25110[O], 2[N], 12[C], 1[P],
SER104C1816[O], 8[C], 3[N], 1[P],
SER104O1211[P], 6[O], 1[N], 4[C],
SER104OG2111[P], 9[O], 10[C], 1[N],
ASP105O211[N], 1[C],
ASP105CB1013[C], 3[N], 3[O], 1[P],
ASP105C611[P], 1[N], 2[C], 2[O],
ASP105OD21213[O], 5[C], 3[N], 1[P],
ASP105OD11411[P], 5[O], 3[N], 5[C],
ASP105CG1313[N], 5[C], 4[O], 1[P],
ASP105N1911[P], 7[O], 8[C], 3[N],
ASP105CA1011[P], 3[O], 3[C], 3[N],
GLU106N412[O], 1[C], 1[P],
GLU106OE2111[O],
GLU106OE1713[C], 3[O], 1[P],
GLU106CD411[P], 3[O],
ILE107N111[O],
ILE107CG1513[O], 2[C],
ILE107CG2111[O],
ILE107CD1111[O],
ILE107CB212[O],
MET108CE312[C], 1[N],
MET108CB111[N],
MET108CG312[C], 1[N],
MET108SD612[N], 3[C], 1[O],
ILE124O311[C], 2[O],
SER125CB212[O],
SER125CA212[O],
ARG126NE23111[C], 11[O], 1[P],
ARG126N413[O], 1[C],
ARG126CD1618[C], 8[O],
ARG126CG1016[O], 4[C],
ARG126CZ22110[C], 1[N], 10[O], 1[P],
ARG126CA212[O],
ARG126CB512[C], 3[O],
ASP127OD2111[O],
PRO131CG111[N],
MET132CE511[C], 1[N], 2[O], 1[P],
MET132SD411[C], 3[O],
LEU142CD1111[O],
GLU144OE2111[O],
GLU147CD614[C], 2[O],
GLU147OE2915[C], 4[O],
GLU147CB111[O],
GLU147CG311[O], 2[C],
GLU147OE1211[O], 1[C],
GLY152O211[O], 1[C],
LEU153CB311[O], 2[C],
LEU153CA311[O], 2[C],
LEU153C714[C], 3[O],
LEU153CD2211[C], 1[O],
LEU153O915[O], 4[C],
ALA154O512[O], 3[C],
ALA154N412[O], 2[C],
ALA154CA614[C], 2[O],
ALA154C612[O], 4[C],
ALA154CB212[O],
PRO155O512[C], 3[O],
PRO155N1015[C], 5[O],
PRO155CG1618[C], 8[O],
PRO155C713[O], 4[C],
PRO155CA1015[O], 5[C],
PRO155CD1217[C], 5[O],
PRO155CB1517[O], 8[C],
THR156N312[C], 1[O],
SER158CB715[C], 2[O],
SER158O111[O],
SER158C111[O],
SER158CA211[O], 1[C],
SER158N111[O],
SER158OG1317[O], 6[C],
THR159CG2915[C], 4[O],
THR159CB412[C], 2[O],
THR159CA111[O],
THR159N211[O], 1[C],
THR159OG1311[C], 2[O],
Total = 157



Download csv file of statistical distribution of contacts