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] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: BLG_A_3(1D0L) / Model_9(1D0L/A) = [5.4] Download1795.0533.55MRRFSCIVGSVFLAMTQAQAELVINGSTISSNATVPVTNSDTYTPNNNFQSCLANLRSQAIAAGVSGSTYDRYTQNLTPDYSVIDKLNYQPEFSTPIWDYLSGLVDEERVALGKQKLAQHRDVLNRASQVYGVPAETIVAVWGVESNFGDISGKYPLLQALGTLSCEGRRQSYFRTEFFATMRILRRGDLTEDQLKGSWAGAFGHTQFMPSTYERLAVDFDGDGRRDLVSSTADALASTANFLNKAGWQTGMPWGFEVQIPAGMSIDGEGRRSKKPLSSWSARGVTRIDGSPLIQGPLFGSTPAGLMAPAGPSGPVFLVFKNFDAIYSYNAAESYGLAIAHLSDRLRGAGPFVSSWPTDDPGTSRAERREIQQFLINRGYDIGAVDGLIGDKTRVAIRQEQTRLGLNPTGRAGQQILRAFRQEQARKMMQ
Complex: SUGAR_A_2(1D0K) / Model_8(1D0K/A) = [4.0] Download--MRRFSCIVGSVFLAMTQAQAELVINGSTISSNATVPVTNSDTYTPNNNFQSCLANLRSQAIAAGVSGSTYDRYTQNLTPDYSVIDKLNYQPEFSTPIWDYLSGLVDEERVALGKQKLAQHRDVLNRASQVYGVPAETIVAVWGVESNFGDISGKYPLLQALGTLSCEGRRQSYFRTEFFATMRILRRGDLTEDQLKGSWAGAFGHTQFMPSTYERLAVDFDGDGRRDLVSSTADALASTANFLNKAGWQTGMPWGFEVQIPAGMSIDGEGRRSKKPLSSWSARGVTRIDGSPLIQGPLFGSTPAGLMAPAGPSGPVFLVFKNFDAIYSYNAAESYGLAIAHLSDRLRGAGPFVSSWPTDDPGTSRAERREIQQFLINRGYDIGAVDGLIGDKTRVAIRQEQTRLGLNPTGRAGQQILRAFRQEQARKMMQ
Complex: ALA_A_7(1D0K) / Model_8(1D0K/A) = [3.1] Download5183.2832.39MRRFSCIVGSVFLAMTQAQAELVINGSTISSNATVPVTNSDTYTPNNNFQSCLANLRSQAIAAGVSGSTYDRYTQNLTPDYSVIDKLNYQPEFSTPIWDYLSGLVDEERVALGKQKLAQHRDVLNRASQVYGVPAETIVAVWGVESNFGDISGKYPLLQALGTLSCEGRRQSYFRTEFFATMRILRRGDLTEDQLKGSWAGAFGHTQFMPSTYERLAVDFDGDGRRDLVSSTADALASTANFLNKAGWQTGMPWGFEVQIPAGMSIDGEGRRSKKPLSSWSARGVTRIDGSPLIQGPLFGSTPAGLMAPAGPSGPVFLVFKNFDAIYSYNAAESYGLAIAHLSDRLRGAGPFVSSWPTDDPGTSRAERREIQQFLINRGYDIGAVDGLIGDKTRVAIRQEQTRLGLNPTGRAGQQILRAFRQEQARKMMQ
Consensus
[pKd Mean = 4.17]		-3489
(s=1694)		32
(s=1)		MRRFSCIVGSVFLAMTQAQAELVINGSTISSNATVPVTNSDTYTPNNNFQSCLANLRSQAIAAGVSGSTYDRYTQNLTPDYSVIDKLNYQPEFSTPIWDYLSGLVDEERVALGKQKLAQHRDVLNRASQVYGVPAETIVAVWGVESNFGDISGKYPLLQALGTLSCEGRRQSYFRTEFFATMRILRRGDLTEDQLKGSWAGAFGHTQFMPSTYERLAVDFDGDGRRDLVSSTADALASTANFLNKAGWQTGMPWGFEVQIPAGMSIDGEGRRSKKPLSSWSARGVTRIDGSPLIQGPLFGSTPAGLMAPAGPSGPVFLVFKNFDAIYSYNAAESYGLAIAHLSDRLRGAGPFVSSWPTDDPGTSRAERREIQQFLINRGYDIGAVDGLIGDKTRVAIRQEQTRLGLNPTGRAGQQILRAFRQEQARKMMQ



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]
ASN88C232[C],
ASN88CA131[C],
ASN88CB131[C],
ASN88O333[C],
TYR89CA531[O], 1[N], 3[C],
TYR89C431[N], 3[C],
TYR89O531[O], 1[N], 3[C],
TYR89CE1533[C], 1[O], 1[N],
TYR89CD1533[C], 1[N], 1[O],
TYR89N333[C],
TYR89CZ533[C], 1[O], 1[N],
TYR89CD2531[O], 1[N], 3[C],
TYR89CE2531[O], 1[N], 3[C],
TYR89CG531[O], 1[N], 3[C],
TYR89CB533[C], 1[O], 1[N],
GLN90N131[C],
GLN90CA131[C],
GLN90C131[C],
PRO91C131[C],
GLU92O231[C], 1[N],
GLU92CA331[N], 2[C],
GLU92CD433[C], 1[N],
GLU92OE1431[N], 3[C],
GLU92CB533[C], 1[N], 1[O],
GLU92N232[C],
GLU92C331[N], 2[C],
GLU92OE2331[N], 2[C],
GLU92CG533[C], 1[N], 1[O],
PHE93CE2533[C], 1[N], 1[O],
PHE93CG332[C], 1[N],
PHE93CD2531[N], 1[O], 3[C],
PHE93CD1332[C], 1[N],
PHE93N131[C],
PHE93CZ531[O], 1[N], 3[C],
PHE93CA131[C],
PHE93CE1533[C], 1[O], 1[N],
PHE93CB131[C],
VAL141CG1634[C], 2[O],
VAL141O331[C], 2[O],
VAL144C131[O],
VAL144CG1531[C], 3[O], 1[N],
VAL144O332[O], 1[N],
GLU145CA1034[O], 1[N], 5[C],
GLU145CD33318[C], 5[N], 10[O],
GLU145OE13635[N], 11[O], 19[C], 1[S],
GLU145O1231[N], 6[O], 5[C],
GLU145N532[C], 3[O],
GLU145C935[O], 1[N], 3[C],
GLU145CB1034[O], 1[N], 5[C],
GLU145OE23735[N], 12[O], 20[C],
GLU145CG1932[N], 5[O], 12[C],
GLY153CA131[O],
TYR155CD1232[O],
TYR155CE1232[O],
TYR155CZ131[O],
LEU164CD1635[C], 1[O],
LEU164CD2131[O],
ARG169CZ131[O],
ARG170CZ22311[C], 1[S], 10[O],
ARG170CD632[O], 4[C],
ARG170CG131[O],
ARG170CB131[O],
ARG170NE1036[C], 4[O],
TYR173CA131[O],
TYR173CG1437[C], 1[S], 6[O],
TYR173CZ3831[N], 17[O], 19[C], 1[S],
TYR173CE128312[O], 15[C], 1[S],
TYR173CD11638[O], 7[C], 1[S],
TYR173CE23231[S], 17[C], 14[O],
TYR173CD21831[S], 7[C], 10[O],
TYR173CB533[O], 1[C], 1[S],
PHE174CE117310[C], 2[N], 5[O],
PHE174CG332[O], 1[C],
PHE174CZ1937[O], 2[N], 10[C],
PHE174CD2533[C], 2[O],
PHE174CE2835[C], 3[O],
PHE174CD1532[O], 3[C],
GLU177OE1933[C], 6[O],
GLU177CG433[O], 1[C],
GLU177OE225312[C], 1[S], 12[O],
GLU177CD1137[O], 1[S], 3[C],
GLY197C331[C], 2[O],
GLY197CA131[O],
GLY197O232[O],
SER198C1534[O], 3[N], 1[S], 7[C],
SER198N1031[S], 4[C], 3[O], 2[N],
SER198CB2931[S], 17[C], 8[O], 3[N],
SER198CA1835[O], 3[N], 1[S], 9[C],
SER198O931[S], 4[C], 3[O], 1[N],
SER198OG34319[C], 1[S], 3[N], 11[O],
TRP199C1739[C], 1[S], 2[N], 5[O],
TRP199NE116310[C], 5[O], 1[N],
TRP199CB1232[N], 4[O], 5[C], 1[S],
TRP199CG1632[N], 6[O], 7[C], 1[S],
TRP199CZ21535[O], 1[N], 9[C],
TRP199O1231[S], 5[C], 4[O], 2[N],
TRP199CD11931[S], 10[C], 6[O], 2[N],
TRP199CD21231[N], 3[O], 8[C],
TRP199CE3834[C], 3[O], 1[N],
TRP199CA1235[C], 1[S], 2[N], 4[O],
TRP199CE21539[C], 1[N], 5[O],
TRP199CZ3831[N], 3[O], 4[C],
TRP199N1537[C], 1[S], 3[N], 4[O],
ALA200N2631[S], 14[C], 8[O], 3[N],
ALA200O2537[O], 3[N], 15[C],
ALA200CA3033[N], 9[O], 17[C], 1[S],
ALA200C26317[C], 6[O], 3[N],
ALA200CB3833[N], 14[O], 20[C], 1[S],
GLY201C1734[O], 3[N], 10[C],
GLY201N17311[C], 3[O], 3[N],
GLY201O733[O], 4[C],
GLY201CA731[O], 1[N], 5[C],
ALA202CB45326[C], 1[S], 5[N], 13[O],
ALA202N29318[C], 8[O], 3[N],
ALA202CA3934[N], 12[O], 23[C],
ALA202O1132[N], 2[O], 7[C],
ALA202C1936[O], 2[N], 11[C],
PHE203O836[C], 2[O],
PHE203N1731[N], 5[O], 11[C],
PHE203CA131[O],
THR206C2033[N], 7[O], 10[C],
THR206CA1238[C], 4[O],
THR206CG2232[C],
THR206CB1034[O], 6[C],
THR206OG1931[N], 2[O], 6[C],
THR206O27317[C], 3[N], 7[O],
THR206N333[C],
GLN207CG26315[C], 3[N], 8[O],
GLN207CD23313[C], 1[S], 3[N], 6[O],
GLN207O45314[O], 5[N], 26[C],
GLN207OE128314[C], 1[S], 3[N], 10[O],
GLN207CA3239[O], 3[N], 20[C],
GLN207N22311[C], 3[N], 8[O],
GLN207C33320[C], 10[O], 3[N],
GLN207CB35320[C], 10[O], 5[N],
GLN207NE21031[N], 3[O], 6[C],
PHE208CG1532[N], 4[O], 9[C],
PHE208CA33319[C], 11[O], 3[N],
PHE208O23315[C], 5[O], 3[N],
PHE208C34319[C], 3[N], 12[O],
PHE208CE2834[C], 2[O], 2[N],
PHE208N28317[C], 8[O], 3[N],
PHE208CZ832[N], 2[O], 4[C],
PHE208CB1634[O], 2[N], 10[C],
PHE208CD119310[C], 7[O], 2[N],
PHE208CE11438[C], 4[O], 2[N],
PHE208CD2932[N], 2[O], 5[C],
MET209SD57318[O], 5[N], 34[C],
MET209O1636[O], 2[N], 8[C],
MET209C22313[C], 7[O], 2[N],
MET209CB4933[N], 16[O], 29[C], 1[S],
MET209CA3933[N], 11[O], 25[C],
MET209N42325[C], 3[N], 14[O],
MET209CG5831[S], 32[C], 20[O], 5[N],
MET209CE50329[C], 1[S], 5[N], 15[O],
PRO210C232[O],
PRO210N834[C], 4[O],
PRO210CA232[O],
PRO210O232[O],
PRO210CD432[O], 2[C],
SER211C1335[O], 1[N], 7[C],
SER211N634[O], 2[C],
SER211O635[O], 1[C],
SER211OG3132[N], 13[O], 15[C], 1[S],
SER211CB1136[O], 1[S], 4[C],
SER211CA631[C], 5[O],
THR212CB26313[C], 11[O], 2[N],
THR212N1732[N], 5[O], 10[C],
THR212O834[O], 4[C],
THR212OG140322[C], 1[S], 2[N], 15[O],
THR212C1132[N], 4[O], 5[C],
THR212CA1639[C], 2[N], 5[O],
THR212CG22232[N], 7[O], 13[C],
TYR213N634[C], 2[O],
TYR213CB232[O],
TYR213CA232[O],
ARG215CZ131[O],
ARG215NE131[O],
ARG215CD131[O],
LEU216CD11332[N], 4[O], 7[C],
LEU216CG834[O], 4[C],
LEU216CB634[C], 2[O],
SER238O232[C],
SER238C131[C],
THR239CA232[C],
THR239O131[C],
THR239CB232[C],
THR239CG2232[C],
THR239N232[C],
THR239OG1232[C],
PHE242CB1034[O], 2[N], 4[C],
PHE242CD21438[C], 2[N], 4[O],
PHE242CA232[C],
PHE242CE22532[N], 8[O], 15[C],
PHE242CE128314[C], 1[S], 2[N], 11[O],
PHE242CD118311[C], 5[O], 2[N],
PHE242C131[C],
PHE242CG1432[N], 4[O], 8[C],
PHE242CZ3231[S], 16[C], 13[O], 2[N],
ILE326O331[N], 2[O],
TYR327O23312[C], 9[O], 2[N],
TYR327C835[C], 1[N], 2[O],
SER328CB1135[O], 2[N], 4[C],
SER328N934[C], 1[N], 4[O],
SER328OG232[O],
SER328C35315[O], 2[N], 1[S], 17[C],
SER328CA2035[O], 2[N], 1[S], 12[C],
SER328O4032[N], 17[O], 20[C], 1[S],
TYR329C48317[O], 3[N], 1[S], 27[C],
TYR329CD227317[C], 8[O], 2[N],
TYR329CB34312[O], 2[N], 20[C],
TYR329N35319[C], 1[S], 2[N], 13[O],
TYR329CE13533[N], 12[O], 20[C],
TYR329O55320[O], 4[N], 1[S], 30[C],
TYR329CA39322[C], 1[S], 2[N], 14[O],
TYR329CZ28316[C], 3[N], 9[O],
TYR329CE22532[N], 8[O], 15[C],
TYR329CG3433[N], 12[O], 19[C],
TYR329CD140312[O], 3[N], 25[C],
ASN330CB48329[C], 14[O], 5[N],
ASN330CA4934[N], 17[O], 28[C],
ASN330O1337[C], 1[N], 5[O],
ASN330N4633[N], 16[O], 27[C],
ASN330CG46313[O], 5[N], 28[C],
ASN330C39323[C], 13[O], 3[N],
ASN330OD137313[O], 4[N], 20[C],
ASN330ND255333[C], 1[S], 5[N], 16[O],
ALA331CB1637[O], 8[C], 1[S],
ALA331N38314[O], 2[N], 1[S], 21[C],
ALA331O131[O],
ALA331C231[O], 1[C],
ALA331CA1335[O], 8[C],
ALA332CB131[O],
SER334OG131[C],
SER334C131[C],
SER334CB332[C], 1[O],
SER334O131[C],
TYR335CE1935[C], 1[N], 3[O],
TYR335CA231[O], 1[C],
TYR335CG634[O], 2[C],
TYR335CZ1639[C], 2[N], 5[O],
TYR335CE21431[N], 4[O], 9[C],
TYR335CD1532[C], 3[O],
TYR335CD21337[C], 1[N], 5[O],
TYR335CB333[O],
TYR335N231[C], 1[O],
ALA338CB131[C],
ILE339CD1232[O],
Total = 248



Download csv file of statistical distribution of contacts