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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: ACP_C_12(4C5N) / Model_26(4C5N/C) = [7.5] Download1394.1417.53MKNNRILALSGNDIFSGGGLSADLATYTLNGLHGFVAVTCLTALTEKGFEVFPTDDTIFQHELDSLRDVEFGGIKIGLLPTVSVAEKALDFIKQRPGVPVVLDPVLVCKETHDVAVSELCQELIRFFPYVSVITPNLPEAELLSGQEIKTLEDMKTAAQKLHDLGAPAVIIKGGNRLSQDKAVDVFYDGQTFTILENPVIQGQNAGAGCTFASSIASHLIKGDKLLPAVESSKAFVYRAIAQADQYGVRQYEANKNS
Complex: ADP_D_17(4C5K) / Model_33(4C5K/D) = [6.0] Download1124.1518.48MKNNRILALSGNDIFSGGGLSADLATYTLNGLHGFVAVTCLTALTEKGFEVFPTDDTIFQHELDSLRDVEFGGIKIGLLPTVSVAEKALDFIKQRPGVPVVLDPVLVCKETHDVAVSELCQELIRFFPYVSVITPNLPEAELLSGQEIKTLEDMKTAAQKLHDLGAPAVIIKGGNRLSQDKAVDVFYDGQTFTILENPVIQGQNAGAGCTFASSIASHLIKGDKLLPAVESSKAFVYRAIAQADQYGVRQYEANKNS
Consensus
[pKd Mean = 6.75]		-1259
(s=134)		18
(s=0)		MKNNRILALSGNDIFSGGGLSADLATYTLNGLHGFVAVTCLTALTEKGFEVFPTDDTIFQHELDSLRDVEFGGIKIGLLPTVSVAEKALDFIKQRPGVPVVLDPVLVCKETHDVAVSELCQELIRFFPYVSVITPNLPEAELLSGQEIKTLEDMKTAAQKLHDLGAPAVIIKGGNRLSQDKAVDVFYDGQTFTILENPVIQGQNAGAGCTFASSIASHLIKGDKLLPAVESSKAFVYRAIAQADQYGVRQYEANKNS



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]
ASP13OD2321[P], 2[O],
ASP13CG121[O],
LYS75NZ121[O],
ASP103CG323[O],
ASP103OD1724[O], 1[C], 2[P],
ASP103OD2822[P], 2[C], 4[O],
VAL105CG1222[O],
VAL105CG2421[P], 3[O],
THR134OG1222[O],
ASN136CG2025[P], 2[C], 13[O],
ASN136ND22325[P], 3[C], 15[O],
ASN136OD116212[O], 4[P],
LEU137CD2222[O],
LEU137CG222[O],
PRO138CG621[P], 5[O],
PRO138CD1027[O], 3[P],
GLU139CD822[P], 6[O],
GLU139OE11027[O], 3[P],
GLU139OE21023[P], 7[O],
GLU139CG222[O],
MET154CE121[O],
ILE170CG2222[O],
ILE170CG1723[C], 4[O],
ILE170CD1724[O], 3[C],
LYS172CG34216[O], 2[N], 12[C], 4[P],
LYS172CD37218[O], 2[N], 13[C], 4[P],
LYS172CE34218[O], 12[C], 4[P],
LYS172NZ37221[O], 5[P], 11[C],
ASN175CG44215[O], 10[N], 15[C], 4[P],
ASN175ND24224[P], 15[C], 10[N], 13[O],
ASN175OD13822[P], 14[C], 10[N], 12[O],
ARG176CZ14210[O], 3[P], 1[C],
ARG176CD1424[P], 10[O],
ARG176NE1821[C], 4[P], 13[O],
ARG176CG19213[O], 1[N], 1[C], 4[P],
VAL183CG1222[O],
VAL183CG2222[O],
ASP184OD14026[N], 14[O], 2[P], 18[C],
ASP184CG3224[N], 12[O], 2[P], 14[C],
ASP184OD234216[C], 2[P], 12[O], 4[N],
LEU195CD1222[O],
ASN197ND224212[C], 6[N], 6[O],
ASN197CG1424[N], 4[O], 6[C],
ASN197OD1422[N], 2[C],
PRO198CD624[N], 2[C],
PRO198CG322[C], 1[N],
VAL199CG120210[C], 10[N],
VAL199CG22029[C], 10[N], 1[O],
ILE200CD118210[N], 8[C],
ILE200CG118210[N], 8[C],
ILE200CG21527[N], 8[C],
GLN201CG19210[C], 9[N],
GLN201OE11427[C], 6[N], 1[O],
GLN201NE21327[C], 6[N],
GLN201CD1529[C], 6[N],
ASN204CG35213[C], 2[P], 10[O], 10[N],
ASN204ND22625[O], 10[N], 10[C], 1[P],
ASN204OD141210[N], 11[O], 4[P], 16[C],
CYS209SG621[P], 1[C], 4[O],
THR210OG1421[C], 1[P], 2[O],
PHE211CD12322[P], 10[C], 1[N], 10[O],
PHE211CD22322[P], 10[C], 11[O],
PHE211CE22029[C], 1[P], 10[O],
PHE211CE11828[O], 10[C],
PHE211CZ1729[C], 8[O],
PHE211CG2522[P], 10[C], 1[N], 12[O],
ILE215CD1222[O],
LYS233CE2525[N], 6[O], 14[C],
LYS233CD2226[O], 4[N], 12[C],
LYS233NZ36220[C], 8[O], 8[N],
LYS233CG2426[O], 4[N], 14[C],
VAL236CG13822[P], 18[C], 7[N], 11[O],
VAL236CG24126[N], 13[O], 3[P], 19[C],
TYR237CE11929[N], 10[C],
TYR237CZ1227[C], 5[N],
TYR237CD130210[N], 6[O], 14[C],
TYR237CD2924[N], 5[C],
TYR237CE2624[N], 2[C],
TYR237CG2124[O], 7[N], 10[C],
ILE240CG229216[C], 10[N], 3[O],
ILE240CG145221[C], 3[P], 11[O], 10[N],
ILE240CD15124[P], 21[C], 10[N], 16[O],
Total = 82



Download csv file of statistical distribution of contacts