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 :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: CIT_A_4(3P4E) / Model_2(3P4E/A) = [4.2] Download633.232.50MSNSTSTPNTGLSYKDAGVDIEAGDALVDRIKSVAKRTTRPEVMGGLGGFGALCKIPKGYEEPVLVSGTDGVGTKLRLALNLNRHDTIGQDLVAMCVNDLLVCGAEPLFFLDYYATGHLNVDVAANVVTGIGKGCELAGCALVGGETAEMPGMYEGEDYDLAGFAVGVVEQSKIIDGSKVKSGDVLIGVASSGAHSNGYSLLRKILDVKNVDLTQVIDGRPLADVAMEPTRIYVKPVLELCKQVDVHAMAHITGGGLPGNLPRVLPNGAQAVINEASWEWPELFKLLQREGNVERFEMYRTFNCGVGMVIAVDANDAEKAIEVLNAQGEKAWKIGHIQENAESVEGADEKIRVIFE
Consensus
[pKd Mean = 4.20]		-633
(s=0)		2
(s=0)		MSNSTSTPNTGLSYKDAGVDIEAGDALVDRIKSVAKRTTRPEVMGGLGGFGALCKIPKGYEEPVLVSGTDGVGTKLRLALNLNRHDTIGQDLVAMCVNDLLVCGAEPLFFLDYYATGHLNVDVAANVVTGIGKGCELAGCALVGGETAEMPGMYEGEDYDLAGFAVGVVEQSKIIDGSKVKSGDVLIGVASSGAHSNGYSLLRKILDVKNVDLTQVIDGRPLADVAMEPTRIYVKPVLELCKQVDVHAMAHITGGGLPGNLPRVLPNGAQAVINEASWEWPELFKLLQREGNVERFEMYRTFNCGVGMVIAVDANDAEKAIEVLNAQGEKAWKIGHIQENAESVEGADEKIRVIFE



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]
THR74CG2612[C], 4[O],
THR74OG11216[C], 6[O],
ASN197ND21317[O], 6[C],
ASN197OD11015[O], 5[C],
ASN197CG1316[C], 7[O],
TYR199CD1211[C], 1[O],
TYR199CD2714[O], 3[C],
TYR199CG612[C], 4[O],
TYR199CE2512[C], 3[O],
SER200OG1317[O], 6[C],
LEU201CD1211[O], 1[C],
LEU201CG412[C], 2[O],
LEU201CD2412[O], 2[C],
LYS204CG111[O],
LYS204NZ512[C], 3[O],
LYS204CE211[O], 1[C],
LYS204CD111[O],
THR253OG1212[O],
ASN260ND2111[O],
GLU297CD111[O],
GLU297CG111[O],
GLU297OE2312[C], 1[O],
THR301OG1813[O], 5[C],
THR301CG21115[O], 6[C],
PHE302CZ513[O], 2[C],
PHE302CG312[O], 1[C],
PHE302CE1512[C], 3[O],
PHE302CD1512[C], 3[O],
PHE302CE2211[C], 1[O],
PHE302CD2211[C], 1[O],
Total = 30



Download csv file of statistical distribution of contacts