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 :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 5 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: 129_C_3(1IF2) / Model_98(1IF2/A) = [4.4] Download346.1218.31MSRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK
Complex: G3P_B_5(3UWU) / Model_32(3UWU/B) = [4.1] Download231.4713.07MSRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK
Complex: PGH_A_3(3TAO) / Model_18(3TAO/A) = [4.0] Download345.5616.65MSRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK
Complex: UVW_A_4(4MVA) / Model_61(4MVA/A) = [3.7] Download521.2314.94MSRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK
Complex: 13P_B_14(4YMZ) / Model_68(4YMZ/B) = [3.7] Download435.4912.95MSRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK
Consensus
[pKd Mean = 3.98]		-375
(s=97)		15
(s=2)		MSRKPFIAGNWKMNKNPEEAKAFVEAVASKLPSSDLVEAGIAAPALDLTTVLAVAKGSNLKVAAQNCYFENAGAFTGETSPQVLKEIGTDYVVIGHSERRDYFHETDEDINKKAKAIFANGMLPIICCGESLETYEAGKAAEFVGAQVSAALAGLTAEQVAASVIAYEPIWAIGTGKSASQDDAQKMCKVVRDVVAADFGQEVADKVRVQYGGSVKPENVASYMACPDVDGALVGGASLEAESFLALLDFVK



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]
ASN10OD1471023[O], 22[C], 2[N],
ASN10CG61102[N], 5[P], 32[O], 22[C],
ASN10ND2721038[O], 9[P], 23[C], 2[N],
LYS12CE971010[P], 58[O], 27[C], 2[N],
LYS12CG82102[N], 26[C], 44[O], 10[P],
LYS12NZ971010[P], 58[O], 27[C], 2[N],
LYS12CD961027[C], 10[P], 57[O], 2[N],
ASN14OD14101[P], 3[O],
ASN14ND25101[P], 4[O],
ASN14CG2102[O],
GLN65CG1101[O],
GLN65OE11101[O],
VAL93CG115101[N], 7[O], 7[C],
VAL93CG210103[C], 6[O], 1[N],
HIS96ND148102[N], 22[C], 24[O],
HIS96CD2471022[C], 22[O], 1[P], 2[N],
HIS96NE2891053[O], 9[P], 25[C], 2[N],
HIS96CE175102[N], 39[O], 9[P], 25[C],
HIS96CG46102[N], 22[O], 22[C],
SER97OG261014[O], 11[C], 1[N],
GLU98CD57102[N], 31[O], 3[P], 21[C],
GLU98OE280102[N], 45[O], 9[P], 24[C],
GLU98CG30101[P], 20[O], 8[C], 1[N],
GLU98OE150102[N], 27[O], 1[P], 20[C],
ILE125CG25101[C], 4[O],
CYS127SG30102[N], 15[O], 13[C],
GLU168CD70102[N], 24[C], 6[P], 38[O],
GLU168CG67102[N], 34[O], 7[P], 24[C],
GLU168OE169102[N], 24[C], 6[P], 37[O],
GLU168OE277102[N], 24[C], 43[O], 8[P],
PRO169CG1101[C],
PRO169CD4102[C], 2[O],
ILE173CG193102[N], 26[C], 10[P], 55[O],
ILE173CD1881026[C], 50[O], 10[P], 2[N],
ILE173CG292102[N], 26[C], 10[P], 54[O],
THR175CG28108[O],
THR175OG114106[P], 8[O],
SER178OG4104[O],
GLN210OE11101[O],
TYR211CD25103[O], 2[C],
TYR211CE11101[O],
TYR211CE226109[C], 17[O],
TYR211CD11101[O],
TYR211CZ13109[O], 4[C],
TYR211CG1101[O],
SER214OG681016[C], 42[O], 10[P],
VAL215CG258109[P], 28[O], 19[C], 2[N],
VAL215CG116105[P], 10[O], 1[C],
LYS216CE461034[O], 8[P], 4[C],
LYS216CD21103[C], 3[P], 15[O],
LYS216CG37103[C], 7[P], 27[O],
LYS216NZ27105[C], 4[P], 18[O],
ASN219OD11101[O],
LEU233CG58102[N], 22[C], 4[P], 30[O],
LEU233CD248102[N], 1[P], 23[O], 22[C],
LEU233CD146102[N], 22[C], 22[O],
VAL234CG259108[P], 27[O], 22[C], 2[N],
VAL234CG1801025[C], 44[O], 9[P], 2[N],
SER238OG491030[O], 7[P], 10[C], 2[N],
LEU239CD21101[O],
LEU239CD115101[C], 12[O], 2[P],
LEU239CG6101[C], 5[O],
LEU247CD18108[O],
Total = 63



Download csv file of statistical distribution of contacts