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: ATP_F_6(2FGK) / Model_124(2FGK/B) = [6.1] Download717.790.87MPNKLLEVKGLKQYFNVGKKNEVHAVNDISFHIYEGETFGLVGESGSGKSTTGRTIIRLNEPTDGEILFDGQDITKIKDKKGLTKFRHDVQMIFQDPYASLNPRMKVRDIIAEGIDVNGLAKSSEERAKKVDDLLRTVGLNPSHGTRYPHEFSGGQRQRIGIARALAVKPRFIICDEPISALDVSIQAQVVNLLQDLQKEHQLTYLFIAHDLSMVKHISDRIGVMHNGLLLEMGTSDEIYNHGVHPYTESLLSAIPLPDPDHERKRRRIKYQPEPDDGQVRQLREIAPEHFVYATEQEVPYYAKKLKRQKESLLVAN
Complex: 128_A_2(2PMK) / Model_116(2PMK/A) = [5.2] Download843.364.46MPNKLLEVKGLKQYFNVGKKNEVHAVNDISFHIYEGETFGLVGESGSGKSTTGRTIIRLNEPTDGEILFDGQDITKIKDKKGLTKFRHDVQMIFQDPYASLNPRMKVRDIIAEGIDVNGLAKSSEERAKKVDDLLRTVGLNPSHGTRYPHEFSGGQRQRIGIARALAVKPRFIICDEPISALDVSIQAQVVNLLQDLQKEHQLTYLFIAHDLSMVKHISDRIGVMHNGLLLEMGTSDEIYNHGVHPYTESLLSAIPLPDPDHERKRRRIKYQPEPDDGQVRQLREIAPEHFVYATEQEVPYYAKKLKRQKESLLVAN
Consensus
[pKd Mean = 5.65]		-780
(s=62)		2
(s=1)		MPNKLLEVKGLKQYFNVGKKNEVHAVNDISFHIYEGETFGLVGESGSGKSTTGRTIIRLNEPTDGEILFDGQDITKIKDKKGLTKFRHDVQMIFQDPYASLNPRMKVRDIIAEGIDVNGLAKSSEERAKKVDDLLRTVGLNPSHGTRYPHEFSGGQRQRIGIARALAVKPRFIICDEPISALDVSIQAQVVNLLQDLQKEHQLTYLFIAHDLSMVKHISDRIGVMHNGLLLEMGTSDEIYNHGVHPYTESLLSAIPLPDPDHERKRRRIKYQPEPDDGQVRQLREIAPEHFVYATEQEVPYYAKKLKRQKESLLVAN



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]
VAL26CG2623[O], 3[C],
LEU41CG521[P], 4[O],
LEU41CD2927[O], 2[P],
LEU41CD1222[O],
SER45OG2221[N], 2[C], 15[O], 4[P],
SER47OG2322[C], 16[O], 5[P],
LYS49CE2025[P], 15[O],
LYS49NZ2422[C], 5[P], 17[O],
LYS49CD19214[O], 5[P],
LYS49CG2325[P], 16[O], 2[C],
SER50OG43214[C], 4[N], 5[P], 20[O],
THR51CG23325[N], 15[C], 11[O], 2[P],
THR51OG15524[P], 21[O], 20[C], 10[N],
THR52OG1621[P], 5[O],
ARG54CG1524[N], 4[C], 5[O], 2[P],
ARG54NE3622[P], 12[O], 13[C], 9[N],
ARG54CZ44210[N], 19[C], 12[O], 3[P],
ARG54CD29210[C], 8[N], 2[P], 9[O],
LEU59CD2121[N],
LEU59CG121[N],
ASN60CG624[N], 2[C],
ASN60OD1824[C], 4[N],
ASN60ND21326[N], 7[C],
GLN95OE11123[P], 8[O],
GLN95CD721[P], 6[O],
GLN95CG423[O], 1[P],
GLN95NE2625[O], 1[P],
ASP176OD1725[O], 2[P],
ASP176OD2724[O], 3[P],
ASP176CG321[P], 2[O],
GLU177OE215212[O], 3[P],
GLU177CD1423[P], 11[O],
GLU177CG1022[P], 8[O],
GLU177OE114211[O], 3[P],
ILE208CG1722[P], 5[O],
ILE208CG21524[P], 11[O],
ILE208CD11424[P], 10[O],
HIS210CD2826[O], 2[P],
HIS210NE2927[O], 2[P],
HIS210CG625[O], 1[P],
HIS210ND1826[O], 2[P],
HIS210CE1927[O], 2[P],
MET225SD822[P], 6[O],
MET225CE621[P], 5[O],
MET225CG222[O],
ASN227OD1221[O], 1[C],
Total = 46



Download csv file of statistical distribution of contacts