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] : 1 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C1_S1
Complex: PLP_E_5(1GDE) / Model_59(1GDE/A) = [4.1] Download330.1115.29MNGMELSKRTKRLEPSVTLAAAAKAKALKAKGRDVLSLTVGEPDFATPENIQEAAIEAIRNGKASYYTPTAGIPELRQAIVDYLKKNYGLVYEPSQTVVTDGAKFALYTLFQTILDPQDEVIIPVPYWVSYGEQVKLAEGLPVFVKGEESNSWKVTVEQLEQARSEKTKAVIINSPSNPTGMIYSKNELQAIGEWAVKNDILIVADDIYGRLVYNGNEFTPIATISEAIKNQTIIINGVSKTYAMTGWRIGYAVGNPVIINGMIAVASQSTSNPTAVSQYAAVEALKGEQDTVEEMRNAFEERLNTLYPLVAELPGVSLEKPQGAFYLFPNVKETLRMCKYENVTQWVEDLLEETGVALVTGEGFGAPENVRMSYATDRATLEEAVRRIKQFIESKSQN
Consensus
[pKd Mean = 4.10]		-330
(s=0)		15
(s=0)		MNGMELSKRTKRLEPSVTLAAAAKAKALKAKGRDVLSLTVGEPDFATPENIQEAAIEAIRNGKASYYTPTAGIPELRQAIVDYLKKNYGLVYEPSQTVVTDGAKFALYTLFQTILDPQDEVIIPVPYWVSYGEQVKLAEGLPVFVKGEESNSWKVTVEQLEQARSEKTKAVIINSPSNPTGMIYSKNELQAIGEWAVKNDILIVADDIYGRLVYNGNEFTPIATISEAIKNQTIIINGVSKTYAMTGWRIGYAVGNPVIINGMIAVASQSTSNPTAVSQYAAVEALKGEQDTVEEMRNAFEERLNTLYPLVAELPGVSLEKPQGAFYLFPNVKETLRMCKYENVTQWVEDLLEETGVALVTGEGFGAPENVRMSYATDRATLEEAVRRIKQFIESKSQN



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]
PRO43CD211[C], 1[O],
THR100OG1312[O], 1[P],
LYS104CD1115[C], 1[P], 1[N], 4[O],
LYS104NZ211[C], 1[O],
LYS104CE712[O], 4[C], 1[P],
LYS104CG1311[N], 4[O], 7[C], 1[P],
PHE105CE1111[O],
PHE105CG111[O],
PHE105CD1211[O], 1[P],
PHE105CE2111[O],
PHE105CZ111[O],
PHE105CD2111[O],
LEU107CD1716[C], 1[N],
LEU107CD2211[C], 1[N],
LEU107CG413[C], 1[N],
TRP128CD11112[O], 1[N], 8[C],
TRP128CZ31111[N], 2[O], 8[C],
TRP128CG1118[C], 1[N], 2[O],
TRP128NE11318[C], 1[P], 3[O], 1[N],
TRP128CE31118[C], 1[N], 2[O],
TRP128CD21118[C], 2[O], 1[N],
TRP128CE21411[N], 4[O], 8[C], 1[P],
TRP128CZ21515[O], 1[N], 1[P], 8[C],
VAL129CG2511[O], 4[C],
SER130OG1218[C], 1[N], 3[O],
TYR131CD1615[C], 1[N],
TYR131CD2311[N], 2[C],
TYR131CG311[N], 2[C],
TYR131CZ811[N], 1[O], 6[C],
TYR131CE2611[O], 1[N], 4[C],
TYR131CE1917[C], 1[O], 1[N],
ASN174CG811[N], 1[O], 6[C],
ASN174OD1816[C], 1[O], 1[N],
ASN174ND2811[O], 1[N], 6[C],
SER177OG111[C],
ASN178CG911[O], 1[N], 7[C],
ASN178OD1611[O], 5[C],
ASN178ND21018[C], 1[O], 1[N],
PRO179CD111[C],
ASP206OD11118[C], 2[O], 1[N],
ASP206CG1112[O], 1[N], 8[C],
ASP206OD21318[C], 1[P], 3[O], 1[N],
ILE208CG11515[O], 1[N], 8[C], 1[P],
ILE208CG21418[C], 1[P], 1[N], 4[O],
ILE208CD11511[N], 5[O], 8[C], 1[P],
TYR209CG917[C], 1[N], 1[O],
TYR209CD2917[C], 1[N], 1[O],
TYR209CE21112[O], 1[N], 8[C],
TYR209CE11111[N], 2[O], 8[C],
TYR209CD1917[C], 1[O], 1[N],
TYR209CZ1118[C], 2[O], 1[N],
ILE236CG1211[C], 1[N],
ILE236CG2911[P], 4[C], 1[N], 3[O],
ILE236CD1211[C], 1[N],
VAL239CG2311[P], 2[O],
SER240OG1015[C], 1[P], 4[O],
LYS241CG1515[O], 1[N], 8[C], 1[P],
LYS241CE1518[C], 1[P], 5[O], 1[N],
LYS241CD1511[N], 5[O], 8[C], 1[P],
LYS241NZ1518[C], 1[P], 5[O], 1[N],
THR246CG2911[P], 4[C], 4[O],
THR246OG1211[P], 1[O],
ARG249CD511[P], 4[O],
ARG249CZ712[C], 1[P], 4[O],
ARG249NE611[P], 1[C], 4[O],
ARG249CG413[O], 1[P],
ILE250CG2111[O],
PHE326CZ413[C], 1[O],
PHE326CD2111[O],
PHE326CE2311[O], 2[C],
TYR327CG111[O],
TYR327CD1111[O],
TYR327CE2611[O], 5[C],
TYR327CE1411[O], 3[C],
TYR327CZ615[C], 1[O],
TYR327CD2514[C], 1[O],
PHE365CE1111[O],
ARG372CZ211[C], 1[O],
ARG372CD111[O],
ARG372NE111[O],
Total = 80



Download csv file of statistical distribution of contacts