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 :C5_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: ATP_A_2(2C96) / Model_13(2C96/A) = [7.1] Download1555.627.58MAKLNFKSEQDFFILFEQLKALFPNASLFLADTSTQAIHYKFNTDDISVESMTALTQDHHNRYLEINTPKMRKRFIYQENDIYIAEHRIIGKLHILQPVSIENDIADQVELTEQLQDLAKVFNSCSPEMTRMFSIIQRVAIAEFPVLVRGESGSGKELVAQAIHDYSQRKNKIFVAINCAALNSNILESELFGHVKGAFTGAIRDHKGVFERAAGGTLFLDEIAEIPLELQAKLLRVLETGEFTPVGGEKPIQANVRIITATHKALREEAKAGRFRHDLLYRLRVIPIFIPPLRERKVDIPLIVDQILKESSTQLDTMPRHVNQKAMQVLLNYDWPGNVRELKNTLLYALTMANGKDEIEVEDLPNELLDADEYVKLPENNAELTPENVQAALEKYNHNLNMVANIFGISRTTLWRYRQKHKL
Complex: ANP_A_2(2C99) / Model_15(2C99/A) = [7.0] Download1417.475.28MAKLNFKSEQDFFILFEQLKALFPNASLFLADTSTQAIHYKFNTDDISVESMTALTQDHHNRYLEINTPKMRKRFIYQENDIYIAEHRIIGKLHILQPVSIENDIADQVELTEQLQDLAKVFNSCSPEMTRMFSIIQRVAIAEFPVLVRGESGSGKELVAQAIHDYSQRKNKIFVAINCAALNSNILESELFGHVKGAFTGAIRDHKGVFERAAGGTLFLDEIAEIPLELQAKLLRVLETGEFTPVGGEKPIQANVRIITATHKALREEAKAGRFRHDLLYRLRVIPIFIPPLRERKVDIPLIVDQILKESSTQLDTMPRHVNQKAMQVLLNYDWPGNVRELKNTLLYALTMANGKDEIEVEDLPNELLDADEYVKLPENNAELTPENVQAALEKYNHNLNMVANIFGISRTTLWRYRQKHKL
Complex: AGS_A_2(5EXS) / Model_93(5EXS/A) = [6.4] Download1177.914.60MAKLNFKSEQDFFILFEQLKALFPNASLFLADTSTQAIHYKFNTDDISVESMTALTQDHHNRYLEINTPKMRKRFIYQENDIYIAEHRIIGKLHILQPVSIENDIADQVELTEQLQDLAKVFNSCSPEMTRMFSIIQRVAIAEFPVLVRGESGSGKELVAQAIHDYSQRKNKIFVAINCAALNSNILESELFGHVKGAFTGAIRDHKGVFERAAGGTLFLDEIAEIPLELQAKLLRVLETGEFTPVGGEKPIQANVRIITATHKALREEAKAGRFRHDLLYRLRVIPIFIPPLRERKVDIPLIVDQILKESSTQLDTMPRHVNQKAMQVLLNYDWPGNVRELKNTLLYALTMANGKDEIEVEDLPNELLDADEYVKLPENNAELTPENVQAALEKYNHNLNMVANIFGISRTTLWRYRQKHKL
Complex: ADP_B_9(1NY5) / Model_39(1NY5/B) = [5.7] Download1408.1314.28MAKLNFKSEQDFFILFEQLKALFPNASLFLADTSTQAIHYKFNTDDISVESMTALTQDHHNRYLEINTPKMRKRFIYQENDIYIAEHRIIGKLHILQPVSIENDIADQVELTEQLQDLAKVFNSCSPEMTRMFSIIQRVAIAEFPVLVRGESGSGKELVAQAIHDYSQRKNKIFVAINCAALNSNILESELFGHVKGAFTGAIRDHKGVFERAAGGTLFLDEIAEIPLELQAKLLRVLETGEFTPVGGEKPIQANVRIITATHKALREEAKAGRFRHDLLYRLRVIPIFIPPLRERKVDIPLIVDQILKESSTQLDTMPRHVNQKAMQVLLNYDWPGNVRELKNTLLYALTMANGKDEIEVEDLPNELLDADEYVKLPENNAELTPENVQAALEKYNHNLNMVANIFGISRTTLWRYRQKHKL
Complex: AMP_A_2(2VII) / Model_16(2VII/A) = [4.7] Download1145.807.94MAKLNFKSEQDFFILFEQLKALFPNASLFLADTSTQAIHYKFNTDDISVESMTALTQDHHNRYLEINTPKMRKRFIYQENDIYIAEHRIIGKLHILQPVSIENDIADQVELTEQLQDLAKVFNSCSPEMTRMFSIIQRVAIAEFPVLVRGESGSGKELVAQAIHDYSQRKNKIFVAINCAALNSNILESELFGHVKGAFTGAIRDHKGVFERAAGGTLFLDEIAEIPLELQAKLLRVLETGEFTPVGGEKPIQANVRIITATHKALREEAKAGRFRHDLLYRLRVIPIFIPPLRERKVDIPLIVDQILKESSTQLDTMPRHVNQKAMQVLLNYDWPGNVRELKNTLLYALTMANGKDEIEVEDLPNELLDADEYVKLPENNAELTPENVQAALEKYNHNLNMVANIFGISRTTLWRYRQKHKL
Consensus
[pKd Mean = 6.18]		-1340
(s=155)		7
(s=3)		MAKLNFKSEQDFFILFEQLKALFPNASLFLADTSTQAIHYKFNTDDISVESMTALTQDHHNRYLEINTPKMRKRFIYQENDIYIAEHRIIGKLHILQPVSIENDIADQVELTEQLQDLAKVFNSCSPEMTRMFSIIQRVAIAEFPVLVRGESGSGKELVAQAIHDYSQRKNKIFVAINCAALNSNILESELFGHVKGAFTGAIRDHKGVFERAAGGTLFLDEIAEIPLELQAKLLRVLETGEFTPVGGEKPIQANVRIITATHKALREEAKAGRFRHDLLYRLRVIPIFIPPLRERKVDIPLIVDQILKESSTQLDTMPRHVNQKAMQVLLNYDWPGNVRELKNTLLYALTMANGKDEIEVEDLPNELLDADEYVKLPENNAELTPENVQAALEKYNHNLNMVANIFGISRTTLWRYRQKHKL



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]
MET129SD352[N], 1[C],
MET129CG352[N], 1[C],
MET129CB151[N],
MET129CE653[C], 3[N],
PHE133CG151[N],
PHE133CE1552[C], 3[N],
PHE133CE2352[N], 1[C],
PHE133CZ553[N], 2[C],
PHE133CD2151[N],
PHE133CD1151[N],
VAL148CB751[S], 6[O],
VAL148C151[S],
VAL148O551[S], 4[O],
VAL148CG11454[P], 9[O], 1[S],
ARG149C454[O],
ARG149O353[O],
ARG149CA151[O],
GLY150N756[O], 1[S],
GLY150C28518[O], 1[N], 8[P], 1[S],
GLY150O3151[S], 21[O], 8[P], 1[N],
GLY150CA1551[S], 9[O], 5[P],
GLU151CB1151[N], 10[O],
GLU151N2351[N], 7[P], 14[O], 1[S],
GLU151C37527[O], 1[N], 8[P], 1[S],
GLU151O5151[N], 12[P], 5[C], 32[O], 1[S],
GLU151CA2451[N], 8[P], 14[O], 1[S],
SER152CA5656[C], 36[O], 1[N], 12[P], 1[S],
SER152C6951[N], 12[P], 42[O], 13[C], 1[S],
SER152CB4159[P], 1[N], 3[C], 27[O], 1[S],
SER152OG3651[S], 1[N], 9[P], 25[O],
SER152N3751[S], 1[N], 8[P], 27[O],
SER152O5851[S], 12[P], 1[N], 35[O], 9[C],
GLY153N87512[P], 5[N], 24[C], 45[O], 1[S],
GLY153O126545[C], 51[O], 12[P], 18[N],
GLY153C116541[C], 50[O], 12[N], 12[P], 1[S],
GLY153CA10951[S], 11[N], 12[P], 35[C], 50[O],
SER154N107545[O], 38[C], 12[P], 11[N], 1[S],
SER154O117526[N], 9[P], 36[O], 46[C],
SER154OG6951[S], 38[O], 11[C], 7[N], 12[P],
SER154C124545[C], 42[O], 24[N], 12[P], 1[S],
SER154CB73535[O], 16[C], 12[P], 10[N],
SER154CA11051[S], 12[P], 15[N], 41[O], 41[C],
GLY155C121512[P], 18[N], 45[C], 45[O], 1[S],
GLY155O115546[C], 41[O], 18[N], 9[P], 1[S],
GLY155CA14051[S], 51[O], 50[C], 26[N], 12[P],
GLY155N13851[S], 46[C], 54[O], 12[P], 25[N],
LYS156N10851[S], 40[C], 44[O], 11[N], 12[P],
LYS156CD4751[S], 1[C], 32[O], 1[N], 12[P],
LYS156CG5351[N], 12[P], 1[C], 38[O], 1[S],
LYS156O46533[O], 1[C], 10[P], 1[N], 1[S],
LYS156NZ55512[P], 1[N], 3[C], 38[O], 1[S],
LYS156CB58512[P], 1[N], 5[C], 39[O], 1[S],
LYS156C66511[C], 37[O], 12[P], 5[N], 1[S],
LYS156CE50512[P], 1[N], 1[C], 35[O], 1[S],
LYS156CA6951[S], 11[C], 39[O], 6[N], 12[P],
GLU157OE237524[O], 5[C], 7[P], 1[S],
GLU157CD5251[S], 12[P], 1[N], 34[O], 4[C],
GLU157CG5751[S], 1[N], 12[P], 37[O], 6[C],
GLU157CA64514[C], 36[O], 1[N], 12[P], 1[S],
GLU157CB7751[S], 12[P], 1[N], 20[C], 43[O],
GLU157C6851[S], 5[N], 9[P], 18[C], 35[O],
GLU157O39527[O], 2[C], 9[P], 1[S],
GLU157N8051[S], 12[P], 7[N], 20[C], 40[O],
GLU157OE15351[S], 10[P], 1[N], 7[C], 34[O],
LEU158O1654[C], 5[O], 4[P], 3[N],
LEU158CD1116534[O], 50[C], 25[N], 7[P],
LEU158CG121550[C], 39[O], 25[N], 7[P],
LEU158C59517[C], 26[O], 6[P], 10[N],
LEU158CA108518[N], 9[P], 35[O], 46[C],
LEU158N106541[C], 42[O], 13[N], 9[P], 1[S],
LEU158CB126550[C], 42[O], 9[P], 25[N],
LEU158CD211455[P], 25[N], 50[C], 34[O],
VAL159CB1059[O], 1[N],
VAL159C454[O],
VAL159CA856[O], 2[N],
VAL159N6159[P], 9[N], 16[C], 27[O],
VAL159CG228510[N], 8[O], 10[C],
ALA160CB656[O],
ALA160N757[O],
GLN161CG353[O],
GLN161CD1251[C], 8[O], 3[P],
GLN161OE11751[N], 3[P], 3[C], 10[O],
GLN161N353[O],
GLN161NE21453[P], 9[O], 2[C],
GLN161CB353[O],
ASN178CB454[O],
ASN178OD11052[P], 8[O],
ASN178ND21359[O], 2[P], 1[N], 1[S],
ASN178CG957[O], 2[P],
PHE219CG351[S], 2[O],
PHE219CD1453[O], 1[S],
PHE219CZ4351[S], 11[P], 1[N], 30[O],
PHE219CE238511[P], 1[N], 25[O], 1[S],
PHE219CE11551[S], 12[O], 2[P],
PHE219CD21351[P], 11[O], 1[S],
LEU220C151[S],
LEU220O151[S],
ASP221OD24751[S], 34[O], 1[N], 11[P],
ASP221O351[S], 2[O],
ASP221CG4051[S], 9[P], 1[N], 29[O],
ASP221CA1359[O], 3[P], 1[S],
ASP221C851[P], 6[O], 1[S],
ASP221CB2851[N], 7[P], 19[O], 1[S],
ASP221N351[S], 2[O],
ASP221OD140528[O], 1[C], 1[N], 9[P], 1[S],
GLU222CB952[P], 6[O], 1[S],
GLU222C151[S],
GLU222CG1451[S], 10[O], 3[P],
GLU222CA651[S], 1[P], 4[O],
GLU222CD1353[P], 9[O], 1[S],
GLU222OE11651[S], 11[O], 4[P],
GLU222N1053[P], 6[O], 1[S],
GLU222OE21359[O], 2[P], 1[N], 1[S],
THR260C151[S],
ALA261O651[S], 4[O], 1[P],
ALA261C751[S], 1[P], 5[O],
ALA261CA957[O], 1[P], 1[S],
ALA261N151[S],
ALA261CB2658[P], 17[O], 1[S],
THR262N755[O], 1[P], 1[S],
THR262O951[S], 7[O], 1[P],
THR262CB251[S], 1[O],
THR262CA551[P], 3[O], 1[S],
THR262C957[O], 1[P], 1[S],
HIS263CB1151[S], 7[O], 3[P],
HIS263CG21515[O], 4[P], 1[N], 1[S],
HIS263CD22551[N], 8[P], 16[O],
HIS263O151[O],
HIS263CA751[S], 4[O], 2[P],
HIS263CE13651[S], 8[P], 1[N], 26[O],
HIS263NE23451[C], 24[O], 8[P], 1[N],
HIS263N1051[P], 8[O], 1[S],
HIS263C151[O],
HIS263ND13051[S], 20[O], 1[N], 8[P],
LYS264N151[O],
ILE290CA151[O],
ILE290CB851[P], 1[N], 6[O],
ILE290CG11057[O], 1[P], 2[N],
ILE290CG23258[C], 11[O], 9[N], 4[P],
ILE290CD13457[P], 6[N], 3[C], 18[O],
ILE290O252[O],
PRO291O252[N],
LEU293CD1452[C], 2[N],
ARG296NE18511[N], 7[C],
ARG296CD1154[C], 7[N],
ARG296CZ39518[N], 21[C],
ASP299O554[N], 1[C],
ASP299CA151[N],
ASP299OD1553[N], 2[C],
ASP299CG956[N], 3[C],
ASP299CB856[N], 2[C],
ASP299OD21357[N], 6[C],
LEU302CG151[N],
LEU302C653[N], 3[C],
LEU302CD2856[N], 2[C],
LEU302O653[C], 3[N],
ILE303O1655[N], 11[C],
ILE303CA26514[N], 12[C],
ILE303CD15652[O], 29[C], 25[N],
ILE303CG150524[N], 24[C], 2[O],
ILE303CG262531[C], 6[O], 25[N],
ILE303C1258[C], 4[N],
ILE303N1256[C], 6[N],
ILE303CB4552[O], 24[C], 19[N],
VAL304N151[C],
GLN306CD2059[N], 10[C], 1[O],
GLN306C653[C], 3[N],
GLN306N352[N], 1[C],
GLN306NE21759[C], 8[N],
GLN306O251[C], 1[N],
GLN306CB1556[N], 8[C], 1[O],
GLN306CG1357[C], 6[N],
GLN306CA653[C], 3[N],
GLN306OE12652[O], 14[C], 10[N],
ILE307CD12555[N], 14[C], 6[O],
ILE307N753[N], 4[C],
ILE307CB752[N], 2[O], 3[C],
ILE307CA551[N], 2[C], 2[O],
ILE307CG2352[O], 1[C],
ILE307CG12656[O], 14[C], 6[N],
GLU310OE11853[N], 10[C], 5[O],
GLU310CG252[O],
GLU310CD953[C], 4[O], 2[N],
GLU310OE21055[O], 4[C], 1[N],
GLU310CB252[O],
PRO336O252[O],
GLY337CA252[O],
GLY337O47512[C], 26[O], 7[P], 2[N],
GLY337C1556[C], 8[O], 1[N],
ASN338CA1055[C], 5[O],
ASN338CB4054[P], 4[N], 18[O], 14[C],
ASN338O2255[O], 15[C], 2[N],
ASN338N151[O],
ASN338CG555[O],
ASN338C3959[O], 20[C], 10[N],
ASN338ND21159[O], 1[P], 1[N],
VAL339C94517[N], 4[P], 26[O], 47[C],
VAL339CB119550[C], 36[O], 8[P], 25[N],
VAL339CG1108550[C], 28[O], 5[P], 25[N],
VAL339CA97548[C], 23[O], 22[N], 4[P],
VAL339N8756[P], 14[N], 44[C], 23[O],
VAL339CG210655[P], 25[N], 50[C], 26[O],
VAL339O83521[O], 45[C], 16[N], 1[P],
ARG340CA94514[N], 7[P], 36[O], 37[C],
ARG340CG76511[P], 4[N], 25[C], 36[O],
ARG340CZ9551[S], 3[N], 12[P], 28[C], 51[O],
ARG340C54530[C], 18[O], 6[N],
ARG340CB100533[C], 47[O], 12[P], 8[N],
ARG340CD80526[C], 40[O], 2[N], 12[P],
ARG340NE9451[S], 3[N], 12[P], 52[O], 26[C],
ARG340O3651[N], 23[C], 12[O],
ARG340N107516[N], 9[P], 40[O], 42[C],
GLU341CA854[C], 4[O],
GLU341N32512[O], 19[C], 1[N],
GLU341C351[C], 2[O],
LEU342C452[O], 2[C],
LEU342CD1451[C], 1[O], 2[N],
LEU342CA252[O],
LEU342N754[O], 3[C],
LEU342CD2151[O],
LEU342CB753[O], 4[C],
LYS343N2358[O], 12[C], 3[N],
LYS343CB57531[C], 16[O], 10[N],
LYS343NZ4756[N], 17[O], 24[C],
LYS343O151[O],
LYS343C654[O], 2[C],
LYS343CG4658[N], 15[O], 23[C],
LYS343CA2452[N], 8[O], 14[C],
LYS343CE4957[N], 16[O], 26[C],
LYS343CD63511[N], 17[O], 35[C],
ASN344ND2251[O], 1[C],
ASN344N654[O], 2[C],
Total = 232



Download csv file of statistical distribution of contacts