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: ADP_A_5(1GSA) / Model_36(1GSA/A) = [7.6] Download646.4510.21MRVLVIMDPIETVNLKKDSTMAMLWAASRRGHELGYALQQDLYIDQGKAYGLISPLKVFEDYNHYYELGEKKKESIAAYDVVLMRKDPPFDMNFVYTTYVLEQAEREGSWIINKPQSLRDCNEKLFATQFPELQVPTLVTSQQSLIREFITEHGDVIVKPLDGMGGMGIFRLYQDGVNIGSTLEMLTELGTRPIMAQRYIPEIVEGDKRILMVNGEPIPYCLARIPQNGEVRGNLAAGGLGQARPLTENDKLIAAKVGPFLREKGLVFVGLDVIGNYVTEINVTSPTCIREIDAQFGTSIADDLFDVLEAGRPA
Consensus
[pKd Mean = 7.60]		-646
(s=0)		10
(s=0)		MRVLVIMDPIETVNLKKDSTMAMLWAASRRGHELGYALQQDLYIDQGKAYGLISPLKVFEDYNHYYELGEKKKESIAAYDVVLMRKDPPFDMNFVYTTYVLEQAEREGSWIINKPQSLRDCNEKLFATQFPELQVPTLVTSQQSLIREFITEHGDVIVKPLDGMGGMGIFRLYQDGVNIGSTLEMLTELGTRPIMAQRYIPEIVEGDKRILMVNGEPIPYCLARIPQNGEVRGNLAAGGLGQARPLTENDKLIAAKVGPFLREKGLVFVGLDVIGNYVTEINVTSPTCIREIDAQFGTSIADDLFDVLEAGRPA



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]
PRO88CB111[O],
PRO88CG111[O],
GLU123OE1514[O], 1[P],
GLU123C313[O],
GLU123CG111[O],
GLU123O612[P], 4[O],
GLU123CD211[O], 1[P],
GLU123OE2111[O],
GLU123CA111[O],
GLU123CB312[O], 1[P],
LYS124CA413[O], 1[P],
LYS124C111[O],
LYS124CB513[O], 2[P],
LYS124CD1211[N], 7[O], 2[P], 2[C],
LYS124CG912[P], 7[O],
LYS124CE1418[O], 1[N], 3[C], 2[P],
LYS124N313[O],
LYS124NZ1011[C], 2[P], 7[O],
LYS124O111[O],
GLN134OE1111[O],
GLN134C111[N],
VAL135CB613[C], 3[N],
VAL135N211[C], 1[N],
VAL135C111[N],
VAL135CA211[C], 1[N],
VAL135CG1814[C], 4[N],
VAL135CG2813[N], 5[C],
VAL135O111[N],
PRO136C111[N],
PRO136CD111[N],
PRO136N111[N],
PRO136O211[N], 1[C],
THR137OG1111[N],
ASP155C111[N],
ASP155OD1211[C], 1[N],
ASP155O412[N], 2[C],
VAL156CA412[C], 2[N],
VAL156C814[N], 4[C],
VAL156O713[N], 4[C],
ILE157CA1216[C], 1[O], 5[N],
ILE157CG221110[C], 1[P], 5[N], 5[O],
ILE157O915[C], 4[N],
ILE157CD118110[C], 5[N], 3[O],
ILE157CG118110[C], 5[N], 3[O],
ILE157C1216[C], 5[N], 1[O],
ILE157N1015[N], 5[C],
ILE157CB1815[N], 3[O], 10[C],
VAL158CA211[N], 1[C],
VAL158N813[N], 1[O], 4[C],
VAL158C311[C], 1[N], 1[O],
VAL158O612[N], 2[O], 2[C],
LYS159CG1917[C], 2[P], 7[O], 3[N],
LYS159CD2418[O], 5[N], 2[P], 9[C],
LYS159NZ2615[N], 9[O], 10[C], 2[P],
LYS159N311[C], 1[N], 1[O],
LYS159CB1617[O], 2[N], 2[P], 5[C],
LYS159CE2412[P], 9[C], 8[O], 5[N],
LYS159CA815[O], 1[N], 1[P], 1[C],
LYS159C111[O],
PRO160N212[O],
PRO160C313[O],
PRO160O614[O], 2[P],
PRO160CG413[O], 1[P],
PRO160CD411[P], 3[O],
LEU161C111[O],
LEU161O111[O],
ASP162CA111[O],
ASP162O212[O],
ASP162C311[P], 2[O],
ASP162N111[O],
GLY163O1012[P], 1[C], 7[O],
GLY163C712[P], 5[O],
GLY163N411[P], 3[O],
GLY163CA511[P], 4[O],
MET164O916[O], 1[C], 2[P],
MET164CA1017[O], 2[P], 1[C],
MET164C1117[O], 2[P], 2[C],
MET164CB712[P], 5[O],
MET164CE212[O],
MET164N811[C], 2[P], 5[O],
MET164SD413[O], 1[P],
MET164CG511[P], 4[O],
GLY165CA1212[P], 3[C], 7[O],
GLY165N1212[P], 2[C], 8[O],
GLY165C1318[O], 3[C], 2[P],
GLY165O1212[P], 3[C], 7[O],
GLY166O1216[O], 4[C], 2[P],
GLY166CA1916[C], 2[P], 1[N], 10[O],
GLY166C1412[P], 4[C], 8[O],
GLY166N1712[P], 5[C], 10[O],
MET167CB514[O], 1[P],
MET167SD111[O],
MET167CE111[O],
MET167N1117[O], 2[C], 2[P],
MET167CA711[C], 1[P], 5[O],
MET167CG211[P], 1[O],
MET167O1112[C], 2[P], 7[O],
MET167C911[P], 2[C], 6[O],
GLY168N211[O], 1[P],
GLY168CA111[O],
GLY168O212[O],
GLY168C312[O], 1[C],
ILE169O511[N], 1[O], 3[C],
ILE169N914[O], 4[C], 1[P],
ILE169CG226110[C], 2[P], 5[N], 9[O],
ILE169C714[C], 2[O], 1[N],
ILE169CB2213[N], 9[O], 8[C], 2[P],
ILE169CD12318[C], 2[P], 10[O], 3[N],
ILE169CA1617[C], 2[P], 2[N], 5[O],
ILE169CG123110[O], 3[N], 2[P], 8[C],
PHE170N412[C], 1[O], 1[N],
PHE170CA111[O],
PHE170C311[N], 1[O], 1[C],
PHE170O1016[C], 3[N], 1[O],
ARG171CB613[C], 3[N],
ARG171CZ211[N], 1[C],
ARG171CA211[C], 1[N],
ARG171CD412[N], 2[C],
ARG171CG513[C], 2[N],
ARG171NE312[N], 1[C],
MET195CE111[O],
MET195CG111[O],
MET195SD311[P], 1[N], 1[O],
ALA196C312[N], 1[C],
ALA196O111[N],
GLN197O914[N], 5[C],
GLN197CB1111[O], 5[N], 5[C],
GLN197OE12019[C], 1[P], 5[N], 5[O],
GLN197C815[C], 3[N],
GLN197N613[N], 3[C],
GLN197CD1411[P], 5[C], 3[O], 5[N],
GLN197CG1011[O], 4[N], 5[C],
GLN197CA713[N], 4[C],
GLN197NE21111[P], 4[C], 2[O], 4[N],
ARG198CB311[C], 2[N],
ARG198CA613[C], 3[N],
ARG198C915[C], 4[N],
ARG198CG312[N], 1[C],
ARG198O1015[C], 5[N],
ARG198N613[N], 3[C],
TYR199CA1015[C], 5[N],
TYR199N814[C], 4[N],
TYR199CD2714[C], 3[N],
TYR199CG1015[N], 5[C],
TYR199O714[C], 3[N],
TYR199CD11412[O], 5[N], 7[C],
TYR199CB915[N], 4[C],
TYR199C914[C], 5[N],
TYR199CE2713[N], 4[C],
TYR199CE11412[O], 5[N], 7[C],
TYR199CZ914[N], 5[C],
ILE200CA915[N], 4[C],
ILE200N1116[C], 5[N],
ILE200O1311[O], 5[N], 7[C],
ILE200CB1015[N], 5[C],
ILE200CG2814[N], 4[C],
ILE200CG11015[C], 5[N],
ILE200C914[C], 5[N],
ILE200CD11015[C], 5[N],
PRO201N714[C], 3[N],
PRO201C312[N], 1[C],
PRO201CB211[C], 1[N],
PRO201CG211[C], 1[N],
PRO201CD512[C], 3[N],
PRO201O312[N], 1[C],
PRO201CA412[N], 2[C],
GLU202C311[C], 2[N],
GLU202CA211[N], 1[C],
GLU202O111[C],
GLU202CB211[C], 1[N],
GLU202N312[N], 1[C],
ILE203CG21613[O], 5[N], 8[C],
ILE203CA1213[N], 2[O], 7[C],
ILE203O613[C], 1[N], 2[O],
ILE203C713[C], 2[O], 2[N],
ILE203CB1719[C], 5[N], 3[O],
ILE203CD118110[C], 4[O], 4[N],
ILE203CG119110[C], 4[O], 5[N],
ILE203N913[N], 1[O], 5[C],
VAL204N311[O], 1[N], 1[C],
GLY206C412[C], 2[O],
GLY206CA212[O],
GLY206O312[O], 1[C],
ASP207N412[O], 2[C],
ASP207OD22612[P], 10[C], 4[N], 10[O],
ASP207CB1819[C], 1[P], 2[N], 6[O],
ASP207CA1015[C], 2[N], 3[O],
ASP207CG2213[N], 8[O], 2[P], 9[C],
ASP207OD12113[N], 8[O], 8[C], 2[P],
ASP207C412[O], 2[C],
ASP207O412[C], 2[O],
LYS208N111[O],
ARG209CZ212[O],
ARG224N111[O],
ARG224CG111[O],
ARG224CA111[O],
ARG224C212[O],
ARG224CD111[O],
ARG224NE413[O], 1[C],
ARG224CZ1014[C], 2[P], 4[O],
ARG224O412[O], 2[C],
ARG224CB412[O], 2[C],
ILE225CA111[O],
ILE225C212[O],
ILE225N212[O],
PRO226C111[O],
PRO226CB614[C], 2[O],
PRO226CA311[C], 2[O],
PRO226N312[O], 1[C],
PRO226CD512[O], 3[C],
PRO226CG912[N], 3[O], 4[C],
GLU230CB111[O],
GLU230C211[C], 1[O],
GLU230OE2212[O],
GLU230CD111[O],
GLU230CG111[O],
GLU230O211[O], 1[C],
GLU230CA111[O],
VAL231C1519[C], 4[O], 2[N],
VAL231CA1116[C], 3[O], 2[N],
VAL231O1814[O], 4[N], 10[C],
VAL231CB1012[N], 2[O], 6[C],
VAL231CG1411[C], 2[O], 1[N],
VAL231CG21012[N], 2[O], 6[C],
VAL231N513[C], 2[O],
ARG232O815[C], 3[O],
ARG232CA1415[O], 2[N], 7[C],
ARG232CB1612[P], 7[C], 1[N], 6[O],
ARG232CG1812[N], 7[O], 2[P], 7[C],
ARG232NE1015[O], 5[C],
ARG232CD1115[C], 5[O], 1[N],
ARG232C1314[O], 2[N], 7[C],
ARG232N1317[C], 2[N], 4[O],
ARG232CZ311[O], 2[C],
GLY233O612[O], 4[C],
GLY233CA1316[C], 5[O], 2[N],
GLY233N1616[O], 2[N], 7[C], 1[P],
GLY233C1015[O], 5[C],
ASN234C613[O], 3[C],
ASN234CA1417[O], 5[C], 2[P],
ASN234O512[O], 3[C],
ASN234N1612[P], 5[C], 8[O], 1[N],
ASN234CG1916[C], 2[P], 1[N], 10[O],
ASN234ND21912[P], 6[C], 10[O], 1[N],
ASN234OD12012[P], 7[C], 10[O], 1[N],
ASN234CB1619[O], 2[P], 5[C],
LEU235N212[O],
ALA236CB212[O],
ALA237CB513[O], 2[C],
LEU271C111[O],
ASP272N111[O],
ASP272CG1412[P], 4[C], 8[O],
ASP272OD220110[O], 2[N], 6[C], 2[P],
ASP272O311[P], 2[O],
ASP272CB1212[P], 3[C], 7[O],
ASP272OD11112[C], 2[P], 7[O],
ASP272CA514[O], 1[P],
ASP272C312[O], 1[P],
VAL273N111[O],
VAL273O111[O],
ILE274C311[N], 2[C],
ILE274CG12211[P], 10[C], 5[N], 6[O],
ILE274CG21518[C], 5[N], 2[O],
ILE274O412[N], 2[C],
ILE274CB1518[C], 5[N], 2[O],
ILE274CD12211[P], 10[C], 6[O], 5[N],
ILE274CA815[C], 3[N],
ILE274N412[C], 2[N],
TYR277CB312[N], 1[C],
TYR277O111[N],
TYR277CG111[N],
TYR277CD1111[N],
VAL278C312[N], 1[O],
VAL278O312[N], 1[O],
THR279N812[N], 2[O], 3[C], 1[P],
THR279C1412[P], 3[C], 3[N], 6[O],
THR279CG22211[P], 10[C], 6[O], 5[N],
THR279OG12412[P], 10[C], 5[N], 7[O],
THR279CB2415[N], 7[O], 2[P], 10[C],
THR279O1212[N], 5[O], 3[C], 2[P],
THR279CA1314[N], 4[O], 4[C], 1[P],
GLU280N1012[P], 1[C], 6[O], 1[N],
GLU280CA812[P], 6[O],
GLU280CD1418[O], 4[C], 2[P],
GLU280OE11317[O], 4[C], 2[P],
GLU280C615[O], 1[P],
GLU280CB1212[C], 2[P], 7[O], 1[N],
GLU280OE21519[O], 2[P], 4[C],
GLU280O312[O], 1[P],
GLU280CG1212[P], 3[C], 7[O],
ILE281N411[P], 3[O],
ASN282ND2812[P], 6[O],
ASN282OD1816[O], 2[P],
ASN282N111[O],
ASN282CA111[O],
ASN282CG715[O], 2[P],
ASN282CB212[O],
Total = 297



Download csv file of statistical distribution of contacts