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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: PRP_B_8(3R6C) / Model_77(3R6C/B) = [6.5] Download793.70-10.52MKEIIEKLAKFENLSGVEMTDVIERIVTGRVTEAQIASLLLALKMKGETPEERTAIAQVMRGHAQHIPTEIHDAMDNCGTGGDKSFSFNISTTAAFVLAGGGIHMAKHGNRSISSKSGSADVLEALGINLDLKPAELGKVFDKTGIVFLFAKNMHPAMKYIMPARLELGIPTIMNLTGPLIHPMALETQLLGISRPELLESTAQVLKNMGRKRAIVVAGPEGLDEAGLNGTTKIALLENGEISLSSFTPEDLGMEGYAMEDIRGGNAQENAEILLSVLKNEASPFLETTVLNAGLGFYANGKIDSIKEGVALARQVIARGKALEKLRLLQEYQK
Complex: BE2_A_2(4YI7) / Model_1(4YI7/A) = [3.9] Download534.8018.00MKEIIEKLAKFENLSGVEMTDVIERIVTGRVTEAQIASLLLALKMKGETPEERTAIAQVMRGHAQHIPTEIHDAMDNCGTGGDKSFSFNISTTAAFVLAGGGIHMAKHGNRSISSKSGSADVLEALGINLDLKPAELGKVFDKTGIVFLFAKNMHPAMKYIMPARLELGIPTIMNLTGPLIHPMALETQLLGISRPELLESTAQVLKNMGRKRAIVVAGPEGLDEAGLNGTTKIALLENGEISLSSFTPEDLGMEGYAMEDIRGGNAQENAEILLSVLKNEASPFLETTVLNAGLGFYANGKIDSIKEGVALARQVIARGKALEKLRLLQEYQK
Consensus
[pKd Mean = 5.20]		-664
(s=129)		3
(s=14)		MKEIIEKLAKFENLSGVEMTDVIERIVTGRVTEAQIASLLLALKMKGETPEERTAIAQVMRGHAQHIPTEIHDAMDNCGTGGDKSFSFNISTTAAFVLAGGGIHMAKHGNRSISSKSGSADVLEALGINLDLKPAELGKVFDKTGIVFLFAKNMHPAMKYIMPARLELGIPTIMNLTGPLIHPMALETQLLGISRPELLESTAQVLKNMGRKRAIVVAGPEGLDEAGLNGTTKIALLENGEISLSSFTPEDLGMEGYAMEDIRGGNAQENAEILLSVLKNEASPFLETTVLNAGLGFYANGKIDSIKEGVALARQVIARGKALEKLRLLQEYQK



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]
MET60CE524[C], 1[O],
MET60SD121[O],
ASP76OD2421[O], 3[C],
ASP76OD1421[P], 1[C], 2[O],
ASP76CG221[C], 1[O],
ASN77CG725[O], 2[P],
ASN77OD1722[P], 5[O],
ASN77ND2424[O],
CYS78SG1521[P], 1[N], 5[O], 8[C],
THR80CG2721[O], 5[C], 1[N],
THR80OG11126[O], 4[C], 1[N],
ASP83OD2724[O], 2[C], 1[P],
ASP83CG722[C], 4[O], 1[P],
ASP83OD1821[P], 2[C], 5[O],
LYS84CG121[O],
PHE86CD2222[O],
PHE86CE2222[O],
SER87OG821[P], 5[O], 2[C],
PHE88CG121[O],
PHE88CE1222[O],
PHE88CD1423[O], 1[P],
ASN89OD1821[P], 2[C], 5[O],
ASN89ND22023[P], 12[O], 5[C],
ASN89CG1522[P], 9[O], 4[C],
ILE90CG1421[P], 3[O],
ILE90CG2521[P], 4[O],
ILE90CD1421[P], 3[O],
SER91OG1422[P], 8[O], 4[C],
THR92OG116210[O], 4[C], 2[P],
THR92CG2725[O], 2[P],
THR93OG1322[O], 1[P],
LYS107CE1722[P], 10[O], 5[C],
LYS107CG821[C], 5[O], 2[P],
LYS107CD826[O], 2[P],
LYS107NZ20210[O], 8[C], 2[P],
HIS108ND1921[N], 1[O], 7[C],
HIS108CE1921[O], 7[C], 1[N],
HIS108NE2921[N], 1[O], 7[C],
HIS108CG821[N], 1[O], 6[C],
HIS108CD2821[O], 7[C],
ASN110CG16210[C], 5[O], 1[N],
ASN110ND21424[O], 9[C], 1[N],
ASN110OD11429[C], 4[O], 1[N],
ARG111CG121[O],
SER112OG921[P], 3[C], 5[O],
ILE113CD11121[P], 6[O], 4[C],
ILE113CG11421[P], 8[O], 5[C],
ILE113CG2823[C], 4[O], 1[P],
SER114OG624[O], 1[C], 1[P],
SER115OG17210[O], 5[C], 2[P],
SER117OG222[O],
SER119OG1825[C], 11[O], 2[P],
ASP121OD2824[O], 4[C],
ASP121CG221[C], 1[O],
ASP121OD1121[O],
VAL122CG1222[O],
VAL122CG2524[O], 1[P],
LEU123CD1323[O],
LEU123CG121[O],
PHE148CE2721[P], 6[O],
PHE148CZ625[O], 1[P],
PHE148CD2121[O],
PHE148CE1121[O],
PHE150CE1222[C],
PHE150CD1323[C],
ILE161CG1121[O],
ILE161CD1422[O], 2[C],
MET162CE221[C], 1[O],
MET162CG121[O],
MET162SD321[C], 2[O],
ARG165CZ1526[O], 7[C], 1[P], 1[N],
ARG165CD422[C], 2[O],
ARG165NE821[N], 4[C], 3[O],
ARG165CG321[C], 2[O],
THR172OG1121[O],
MET174SD221[O], 1[C],
MET174CG321[C], 2[O],
ASN175CG821[N], 3[O], 4[C],
ASN175OD1823[C], 3[O], 1[N], 1[P],
ASN175ND2822[O], 5[C], 1[N],
THR177OG11021[N], 2[O], 7[C],
THR177CG2121[O],
PRO179CG1729[C], 6[O], 1[N], 1[P],
PRO179CD1626[O], 9[C], 1[N],
ILE181CD1927[C], 2[O],
ILE181CG2222[C],
ILE181CG1827[C], 1[O],
PRO183CD121[C],
LEU191CD1121[O],
LEU191CD2121[C],
SER194OG222[O],
ASP224CG1923[P], 1[N], 10[O], 5[C],
ASP224OD11825[C], 10[O], 3[P],
ASP224OD22421[N], 3[P], 7[C], 13[O],
GLU225CG826[O], 2[P],
GLU225OE11121[C], 8[O], 2[P],
GLU225OE21622[P], 5[C], 9[O],
GLU225CD1222[P], 8[O], 2[C],
ASN270ND2322[O], 1[P],
ASN270CG121[O],
ASN292OD1121[O],
Total = 101



Download csv file of statistical distribution of contacts