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_B_6(1L2T) / Model_20(1L2T/A) = [3.6] Download683.9426.67MLSGGQKQRIAIARGLAMHPELLLFDEPTSALDPETIGDVLAVMQKLAHDGMNMIIVTHEMGFAREVADRIIFMADGEVLVDTTDVDNFFDNPSEPRAQQFLSKIINHESDKVK
Complex: ACP_A_4(5X40) / Model_47(5X40/B) = [3.1] Download998.0524.60MLSGGQKQRIAIARGLAMHPELLLFDEPTSALDPETIGDVLAVMQKLAHDGMNMIIVTHEMGFAREVADRIIFMADGEVLVDTTDVDNFFDNPSEPRAQQFLSKIINHESDKVK
Consensus
[pKd Mean = 3.35]		-840
(s=157)		25
(s=1)		MLSGGQKQRIAIARGLAMHPELLLFDEPTSALDPETIGDVLAVMQKLAHDGMNMIIVTHEMGFAREVADRIIFMADGEVLVDTTDVDNFFDNPSEPRAQQFLSKIINHESDKVK



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]
MET1SD925[C], 4[N],
MET1CG1325[N], 7[C], 1[O],
MET1CE723[N], 4[C],
LEU2CD1422[O], 2[C],
LEU2CD22925[O], 17[C], 7[N],
LEU2CG27216[C], 3[O], 8[N],
SER3OG5024[N], 15[C], 25[O], 6[P],
GLN6CD4826[P], 6[N], 16[C], 20[O],
GLN6CG4026[P], 20[O], 12[C], 2[N],
GLN6NE23923[N], 16[O], 15[C], 5[P],
GLN6OE153221[C], 20[O], 6[N], 6[P],
LYS7CE924[C], 5[N],
LYS7CG422[O], 1[C], 1[N],
LYS7CD221[N], 1[C],
LYS7NZ523[C], 2[N],
GLN8OE1121[O],
ARG9CD121[O],
ARG9NE322[O], 1[P],
ARG9CZ524[O], 1[P],
LEU32CD2625[O], 1[P],
LEU32CG322[O], 1[P],
ASP33OD2521[P], 1[C], 3[O],
ASP33CG622[P], 4[O],
ASP33OD1621[P], 5[O],
THR36OG1121[O],
Total = 25



Download csv file of statistical distribution of contacts