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 :C1_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 C1_S1
Complex: IMP_A_3(5AHM) / Model_137(5AHM/A) = [6.2] Download760.9912.03MKVFDYEDIQLIPNKCIVNSRSECDTTVTLGKHTFKMPVVPANMQTIIDETIAEFLAENGYFYIMHRFDEAARIPFIKKMKKRGLITSISVGVKKEEYSFIEKLAEESLNPDYITIDIAHGHANSVIDMIQHIKKYLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSVRFGATMVMIGSLFAGHEESPGETKVENGIVYKEYFGSASEFQKGEKRNVEGKKIWIQHKGSLKDTLVEMQQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI
Complex: 5GP_A_2(2A1Y) / Model_1(2A1Y/A) = [5.9] Download914.1913.63MKVFDYEDIQLIPNKCIVNSRSECDTTVTLGKHTFKMPVVPANMQTIIDETIAEFLAENGYFYIMHRFDEAARIPFIKKMKKRGLITSISVGVKKEEYSFIEKLAEESLNPDYITIDIAHGHANSVIDMIQHIKKYLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSVRFGATMVMIGSLFAGHEESPGETKVENGIVYKEYFGSASEFQKGEKRNVEGKKIWIQHKGSLKDTLVEMQQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI
Consensus
[pKd Mean = 6.05]		-837
(s=76)		12
(s=1)		MKVFDYEDIQLIPNKCIVNSRSECDTTVTLGKHTFKMPVVPANMQTIIDETIAEFLAENGYFYIMHRFDEAARIPFIKKMKKRGLITSISVGVKKEEYSFIEKLAEESLNPDYITIDIAHGHANSVIDMIQHIKKYLPETFVIAGNVGTPEAVRELENAGADATKVGIGPGKVCITKIKTGFGTGGWQLAALRWCAKAARKPIIADGGIRTHGDIAKSVRFGATMVMIGSLFAGHEESPGETKVENGIVYKEYFGSASEFQKGEKRNVEGKKIWIQHKGSLKDTLVEMQQDLQSSISYAGGRDLEAIRKVDYVIVKNSIFNGDTI



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]
TYR6CE1121[O],
ASN43CG422[C], 2[O],
ASN43ND2422[C], 2[O],
ASN43OD11021[N], 6[C], 3[O],
MET44SD43219[C], 7[N], 2[P], 15[O],
MET44CG38212[O], 1[P], 18[C], 7[N],
MET44CE41218[C], 6[N], 2[P], 15[O],
GLN45OE1121[N],
THR46CG2121[N],
THR46OG1422[C], 2[N],
ILE47CD1823[C], 1[P], 4[O],
ILE47CG11828[C], 2[P], 8[O],
ILE47CG2221[O], 1[C],
ASP117CG824[C], 4[O],
ASP117OD1924[O], 5[C],
ASP117OD21724[O], 3[N], 10[C],
ASN146ND22526[O], 14[C], 5[N],
ASN146OD11124[O], 7[C],
ASN146CG1727[C], 4[N], 6[O],
LYS165NZ1826[O], 10[C], 2[N],
LYS165CG824[C], 4[O],
LYS165CE824[C], 4[O],
LYS165CD824[C], 4[O],
ILE168CD1121[N],
ILE168CG2121[N],
PRO170CD3025[N], 14[C], 2[P], 9[O],
PRO170CG27212[O], 2[P], 3[N], 10[C],
LYS172CD927[O], 2[P],
LYS172CE722[P], 5[O],
LYS172NZ621[P], 5[O],
LYS172CG1128[O], 2[P], 1[C],
VAL173CG12429[O], 2[P], 9[C], 4[N],
VAL173CG241211[O], 2[P], 20[C], 8[N],
CYS174SG3427[O], 18[C], 9[N],
ILE175CD1421[O], 1[N], 2[C],
ILE175CG1621[O], 2[N], 3[C],
ILE175CG2922[O], 4[C], 3[N],
THR176CG2725[N], 2[C],
THR176OG12028[N], 10[C], 2[O],
ILE204CG2121[O],
ASP206OD23025[N], 14[C], 2[P], 9[O],
ASP206OD13424[N], 14[C], 2[P], 14[O],
ASP206CG3224[N], 14[C], 12[O], 2[P],
ILE209CG11027[O], 2[P], 1[C],
ILE209CG2622[P], 4[O],
ILE209CD1524[O], 1[P],
ARG210CD521[P], 4[O],
ARG210NE625[O], 1[P],
ARG210CG725[O], 2[P],
ARG210CZ621[C], 4[O], 1[P],
VAL226CG1121[O],
MET227CG22210[C], 2[P], 10[O],
MET227CE1224[O], 8[C],
MET227SD23211[C], 2[N], 10[O],
ILE228CG11222[C], 2[P], 8[O],
ILE228CG21422[P], 9[O], 3[C],
ILE228CD1524[O], 1[P],
SER230OG1228[O], 2[P], 2[C],
LEU231CD2625[O], 1[P],
LEU231CD1521[P], 4[O],
LEU231CG826[O], 2[P],
PHE232CE2121[O],
PHE232CD2222[O],
PHE232CG121[O],
TYR253CZ34216[C], 4[N], 2[P], 12[O],
TYR253CD21722[N], 5[C], 8[O], 2[P],
TYR253CG822[P], 3[O], 2[C], 1[N],
TYR253CE227210[O], 2[P], 11[C], 4[N],
TYR253CE13222[P], 12[O], 14[C], 4[N],
TYR253CD11425[C], 2[N], 2[P], 5[O],
PHE254CD1523[C], 1[N], 1[O],
PHE254CG221[O], 1[N],
PHE254CE1221[N], 1[O],
SER256OG2225[O], 11[C], 6[N],
SER258OG521[O], 2[C], 2[N],
VAL268CG1121[O],
VAL268CG2121[O],
GLU269CG521[O], 2[N], 2[C],
GLU269CD522[N], 2[C], 1[O],
GLU269OE1721[O], 2[N], 4[C],
GLU269OE2221[C], 1[N],
ILE273CD1121[O],
ILE275CG1121[O],
ILE275CD1321[P], 2[O],
Total = 84



Download csv file of statistical distribution of contacts