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 :C8_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 C8_S1
Complex: KAA_C_7(3A5Y) / Model_22(3A5Y/C) = [8.7] Download933.005.74MGSSRGATGMSLSYQPTCSIDALKARAKLYTQIRQFFAERGVMEVETPVVSQAGVTDVHLASVQALRHINGKLQTQYLQTSPEFAMKRLLASGSGPIYQICKVFRDDEHGRKHNSEFTMLEWYRPGLDLKALMHETADLLQTCLQHRFGEVRPFILSYKHAFQDRLDINPLQATLKQLKDTANRVGLNLDLGDDRLAYMDLLFSHFFEPSLGFDAPVFLTDFPPEMASLAKVKLDEDGEEVAARFEVYIEGLELANAYDELLDSDVLRSRFEADNAERAKQGLHVMPLDEHLLAALPHMPECSGIALGVDRLLMVATDQLKIEKVIAFPAEIA
Complex: AMP_B_7(3G1Z) / Model_21(3G1Z/B) = [6.4] Download980.505.03MGSSRGATGMSLSYQPTCSIDALKARAKLYTQIRQFFAERGVMEVETPVVSQAGVTDVHLASVQALRHINGKLQTQYLQTSPEFAMKRLLASGSGPIYQICKVFRDDEHGRKHNSEFTMLEWYRPGLDLKALMHETADLLQTCLQHRFGEVRPFILSYKHAFQDRLDINPLQATLKQLKDTANRVGLNLDLGDDRLAYMDLLFSHFFEPSLGFDAPVFLTDFPPEMASLAKVKLDEDGEEVAARFEVYIEGLELANAYDELLDSDVLRSRFEADNAERAKQGLHVMPLDEHLLAALPHMPECSGIALGVDRLLMVATDQLKIEKVIAFPAEIA
Consensus
[pKd Mean = 7.55]		-956
(s=23)		5
(s=0)		MGSSRGATGMSLSYQPTCSIDALKARAKLYTQIRQFFAERGVMEVETPVVSQAGVTDVHLASVQALRHINGKLQTQYLQTSPEFAMKRLLASGSGPIYQICKVFRDDEHGRKHNSEFTMLEWYRPGLDLKALMHETADLLQTCLQHRFGEVRPFILSYKHAFQDRLDINPLQATLKQLKDTANRVGLNLDLGDDRLAYMDLLFSHFFEPSLGFDAPVFLTDFPPEMASLAKVKLDEDGEEVAARFEVYIEGLELANAYDELLDSDVLRSRFEADNAERAKQGLHVMPLDEHLLAALPHMPECSGIALGVDRLLMVATDQLKIEKVIAFPAEIA



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]
VAL55CG2121[N],
VAL55CG1221[N], 1[O],
ASP57OD21322[N], 5[O], 1[P], 1[S], 4[C],
ASP57OD1622[C], 3[O], 1[N],
ASP57CG822[N], 3[O], 1[S], 2[C],
HIS59CD2121[O],
LEU60CG1526[O], 4[N], 3[C], 1[S], 1[P],
LEU60CD11828[O], 4[N], 4[C], 1[P], 1[S],
LEU60CD21724[C], 1[P], 1[S], 3[N], 8[O],
THR80CG2121[O],
THR80OG1724[O], 1[N], 2[C],
SER81OG2027[O], 3[N], 8[C], 1[S], 1[P],
PRO82CD221[O], 1[C],
GLU83CD1026[C], 1[O], 3[N],
GLU83OE2921[O], 2[N], 6[C],
GLU83CG926[C], 2[N], 1[O],
GLU83OE11122[O], 3[N], 6[C],
PHE84CZ121[N],
PHE84CD1121[N],
PHE84CE1121[N],
LYS87CE421[N], 3[C],
LYS87CG221[N], 1[C],
LYS87CD221[N], 1[C],
LYS87NZ423[C], 1[N],
VAL103CG11121[N], 5[O], 5[C],
VAL103CG23225[O], 10[N], 17[C],
ARG105CD44211[N], 10[O], 1[S], 1[P], 21[C],
ARG105CG30212[C], 1[P], 7[O], 10[N],
ARG105CZ50213[O], 12[N], 23[C], 1[S], 1[P],
ARG105NE47210[O], 12[N], 1[P], 1[S], 23[C],
ASP107CG1227[C], 5[N],
ASP107OD21426[N], 8[C],
ASP107OD1723[C], 4[N],
HIS109ND1222[N],
HIS109CE1121[N],
LYS112NZ221[O], 1[C],
LYS112CE1126[C], 1[O], 4[N],
LYS112CG925[C], 4[N],
LYS112CD422[C], 2[N],
HIS113NE227210[N], 1[O], 16[C],
HIS113CG24210[N], 14[C],
HIS113CE124210[N], 14[C],
HIS113ND121210[N], 11[C],
HIS113CD229216[C], 3[O], 10[N],
ASN114CG824[C], 4[N],
ASN114ND2824[N], 4[C],
ASN114OD1824[C], 4[N],
SER115OG222[N],
PHE117CZ48214[O], 11[N], 21[C], 1[P], 1[S],
PHE117CE14121[P], 1[S], 20[C], 9[O], 10[N],
PHE117CE247214[O], 10[N], 21[C], 1[P], 1[S],
PHE117CD238220[C], 10[N], 8[O],
PHE117CD135210[N], 6[O], 19[C],
PHE117CG36210[N], 6[O], 20[C],
MET119CE50214[O], 9[N], 25[C], 1[P], 1[S],
MET119SD4327[N], 12[O], 1[S], 1[P], 22[C],
MET119CG3825[N], 12[O], 1[S], 1[P], 19[C],
GLU121OE22227[O], 3[N], 10[C], 1[S], 1[P],
GLU121CD1624[O], 3[N], 8[C], 1[P],
GLU121CG1222[O], 2[N], 8[C],
GLU121OE11222[O], 3[N], 7[C],
TYR123CE2521[N], 4[C],
TYR123CZ521[N], 4[C],
TYR123CG322[C], 1[N],
TYR123CE1524[C], 1[N],
TYR123CD2421[N], 3[C],
TYR123CD1322[C], 1[N],
LEU132CD2322[C], 1[N],
SER228OG1521[P], 6[C], 5[O], 3[N],
LEU229CG922[N], 3[O], 1[P], 3[C],
LEU229CD11223[O], 2[N], 6[C], 1[P],
LEU229CD2821[P], 3[C], 2[O], 2[N],
ARG244CG424[C],
ARG244CZ921[N], 4[O], 1[P], 1[S], 2[C],
ARG244NE1221[P], 1[S], 4[C], 4[O], 2[N],
ARG244CD421[N], 1[O], 2[C],
PHE245CE2121[C],
PHE245CZ222[C],
GLU246OE1521[S], 4[O],
GLU246CG1024[C], 1[S], 1[N], 4[O],
GLU246OE222210[O], 1[N], 9[C], 1[P], 1[S],
GLU246CD1022[C], 1[S], 1[P], 1[N], 5[O],
VAL247CG1323[O],
TYR248CZ222[O],
TYR248CE2222[O],
TYR248CE1121[O],
LEU252CD2623[C], 2[O], 1[N],
LEU252CG623[C], 2[O], 1[N],
LEU252CD1925[C], 2[O], 2[N],
GLU253CD3525[N], 13[O], 1[P], 1[S], 15[C],
GLU253OE133213[O], 5[N], 13[C], 1[S], 1[P],
GLU253OE241214[O], 7[N], 18[C], 1[P], 1[S],
GLU253CG2921[S], 1[P], 12[C], 12[O], 3[N],
LEU254CD21026[C], 4[O],
LEU254CD1222[O],
LEU254CG824[C], 4[O],
ASN256ND22923[N], 12[O], 1[P], 1[S], 12[C],
ASN256CG2721[P], 1[S], 12[C], 10[O], 3[N],
ASN256OD127210[O], 3[N], 12[C], 1[S], 1[P],
TYR258CE11121[P], 5[C], 1[N], 4[O],
TYR258CE21126[C], 2[O], 3[N],
TYR258CD2923[N], 6[C],
TYR258CZ1125[C], 1[P], 2[N], 3[O],
TYR258CD1723[C], 1[P], 1[N], 2[O],
TYR258CG821[O], 2[N], 5[C],
GLU260CD524[C], 1[N],
GLU260CG421[N], 3[C],
GLU260OE2621[N], 5[C],
GLU260OE1524[C], 1[N],
CYS302SG121[N],
ILE305CG11128[C], 1[O], 2[N],
ILE305CD1222[C],
ILE305CG2423[C], 1[N],
LEU307CG1626[O], 10[C],
LEU307CD21526[O], 9[C],
LEU307CD1521[C], 4[O],
ASP310OD1622[C], 4[N],
ASP310CG16210[C], 6[N],
ASP310OD22529[N], 4[O], 12[C],
ARG311CZ40210[N], 10[O], 20[C],
ARG311CD3626[O], 10[N], 20[C],
ARG311CG33218[C], 6[O], 9[N],
ARG311NE37220[C], 7[O], 10[N],
ILE322CD11428[C], 5[N], 1[O],
ILE322CG21428[C], 6[N],
ILE322CG11126[C], 5[N],
ILE326CD1824[C], 4[N],
ILE326CG1422[N], 2[C],
Total = 128



Download csv file of statistical distribution of contacts