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 :C4_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 C4_S1
Complex: PLP_A_2(4YWR) / Model_70(4YWR/A) = [4.3] Download706.9717.12MRPTVLCFSGLDPSGGAGLQADIEAIGQSGAHAAIACTALTIQNSQQVFGSEATSKELLLAQANAVVGDLPIKCVKSGMLGTTDNIAALAEFLRAHPDYQYVLDPVLVANSGGSLGDQATLVKAFVELILLATLITPNTVELRALTGVTDLDQATQKLFEMGAKAVLVKGGHEDTPDFIKNSLYIDGELAASSTCPRLEGEYHGSGCSLASFIAGRLALGDSLKIAVQHAETWLFGVLKNAETPVPNGQKIPKRF
Consensus
[pKd Mean = 4.30]		-706
(s=0)		17
(s=0)		MRPTVLCFSGLDPSGGAGLQADIEAIGQSGAHAAIACTALTIQNSQQVFGSEATSKELLLAQANAVVGDLPIKCVKSGMLGTTDNIAALAEFLRAHPDYQYVLDPVLVANSGGSLGDQATLVKAFVELILLATLITPNTVELRALTGVTDLDQATQKLFEMGAKAVLVKGGHEDTPDFIKNSLYIDGELAASSTCPRLEGEYHGSGCSLASFIAGRLALGDSLKIAVQHAETWLFGVLKNAETPVPNGQKIPKRF



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]
SER9OG511[N], 1[O], 3[C],
LEU11CD2111[C],
LEU11CG111[C],
ASP12OD1815[C], 1[N], 2[O],
ASP12CG1017[C], 1[N], 2[O],
ASP12OD21118[C], 2[O], 1[N],
PRO13CD211[O], 1[C],
SER14OG212[O],
LEU19CD2111[C],
LEU19CG111[C],
ASP22OD2612[O], 1[N], 3[C],
ASP22OD1813[C], 3[O], 1[N], 1[P],
ASP22CG411[C], 1[N], 2[O],
THR38OG1311[N], 2[C],
THR41CG2812[O], 1[N], 5[C],
THR41OG1811[N], 2[O], 5[C],
GLN43NE21112[O], 1[N], 8[C],
GLN43OE11118[C], 2[O], 1[N],
GLN43CD1017[C], 2[O], 1[N],
GLN43CG712[O], 5[C],
VAL48CG2715[C], 2[O],
VAL48CG1311[C], 2[O],
LYS76CD111[O],
LYS76NZ1011[P], 1[N], 4[O], 4[C],
LYS76CE611[C], 3[O], 1[N], 1[P],
MET79SD1112[O], 1[N], 8[C],
MET79CE711[N], 1[O], 5[C],
MET79CG1011[O], 1[N], 8[C],
ASP104OD21011[P], 4[O], 1[N], 4[C],
ASP104CG913[C], 1[P], 1[N], 4[O],
ASP104OD1811[P], 4[O], 3[C],
PRO105CD111[O],
PRO105CG111[O],
VAL106CG21618[C], 1[P], 6[O], 1[N],
VAL106CG11618[C], 6[O], 1[N], 1[P],
ASN110OD11517[C], 1[P], 6[O], 1[N],
ASN110ND21517[C], 1[N], 6[O], 1[P],
ASN110CG1517[C], 1[N], 6[O], 1[P],
SER111OG512[O], 3[C],
LEU115CD11313[O], 1[N], 1[P], 8[C],
LEU115CD21111[N], 2[O], 8[C],
LEU115CG1218[C], 3[O], 1[N],
THR136OG1311[P], 2[O],
ASN138CG312[O], 1[P],
ASN138OD1111[O],
ASN138ND2511[C], 1[P], 3[O],
GLU141OE1611[C], 4[O], 1[P],
GLU141OE2813[C], 1[P], 4[O],
GLU141CG111[O],
GLU141CD511[C], 1[P], 3[O],
LYS169CD413[O], 1[P],
LYS169CE411[P], 3[O],
LYS169NZ611[C], 1[P], 4[O],
ARG197NE111[O],
ARG197CZ211[P], 1[O],
SER208OG813[C], 4[O], 1[P],
SER211OG111[O],
Total = 57



Download csv file of statistical distribution of contacts