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 :C7_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 C7_S1
Complex: U_A_2(1KSV) / Model_3(1KSV/A) = [4.0] Download--MLLEKILQSQGFGSRKYCQQLIKNGSVSIDGEVVSDLKKQFSPENFEFSVFGQNYQYREKIYIALRKPQGFECSHHPQHHQSVFSLLPETMIHRGVQAVGRLDQDTTGLLLLTDDGKYLQVLTHPRKHVPKVYHVTTYDPVTPEQIEMLIQGVNLHQEKEVFAATDVALLGTHQLTMTIHQGVYHQVKRMIAAVGNKVEKLHRHQIGQLVLPEIEDGDWVYLSEQEKQLAQNII
Consensus
[pKd Mean = 4.00]		-0
(s=0)		0
(s=0)		MLLEKILQSQGFGSRKYCQQLIKNGSVSIDGEVVSDLKKQFSPENFEFSVFGQNYQYREKIYIALRKPQGFECSHHPQHHQSVFSLLPETMIHRGVQAVGRLDQDTTGLLLLTDDGKYLQVLTHPRKHVPKVYHVTTYDPVTPEQIEMLIQGVNLHQEKEVFAATDVALLGTHQLTMTIHQGVYHQVKRMIAAVGNKVEKLHRHQIGQLVLPEIEDGDWVYLSEQEKQLAQNII



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]
GLU72OE1212[O],
CYS73SG111[O],
CYS73CB111[O],
GLY100C111[O],
ARG101CZ111[O],
ARG101CD511[P], 4[O],
ARG101O1416[C], 1[N], 6[O], 1[P],
ARG101CG411[P], 3[O],
ARG101CB911[P], 5[O], 3[C],
ARG101NE413[O], 1[P],
ARG101CA813[C], 4[O], 1[P],
ARG101N612[C], 3[O], 1[P],
ARG101C1014[C], 1[P], 5[O],
LEU102CA1111[P], 5[O], 5[C],
LEU102CD1412[O], 2[C],
LEU102CG412[O], 2[C],
LEU102C1317[O], 1[P], 5[C],
LEU102N1014[C], 1[P], 5[O],
LEU102CB613[O], 3[C],
LEU102O1014[C], 1[P], 5[O],
LEU102CD21016[C], 1[N], 3[O],
ASP103N1315[C], 1[N], 6[O], 1[P],
ASP103OD1912[C], 6[O], 1[P],
ASP103C613[O], 3[C],
ASP103OD2513[C], 2[O],
ASP103CB1311[N], 6[O], 1[P], 5[C],
ASP103CG1211[P], 6[O], 5[C],
ASP103CA1216[O], 1[P], 5[C],
ASP103O512[C], 3[O],
GLN104N313[O],
ASP105C111[O],
THR106C111[O],
THR106OG11014[O], 1[N], 5[C],
THR106O111[O],
THR106N111[O],
THR106CA211[C], 1[O],
THR106CG2613[C], 1[N], 2[O],
THR106CB613[C], 2[O], 1[N],
LYS131NZ413[C], 1[O],
TYR133CD2612[N], 1[O], 3[C],
TYR133CG311[O], 2[C],
TYR133CE1714[C], 1[O], 2[N],
TYR133CE21117[C], 2[N], 2[O],
TYR133CZ911[O], 2[N], 6[C],
TYR133CD1511[N], 1[O], 3[C],
PHE162CZ111[O],
PHE162CE1111[O],
MET177SD111[O],
ILE179CG2111[O],
ILE179CD1511[N], 1[O], 3[C],
ILE179CG1312[C], 1[O],
ILE179CB111[O],
GLY182CA111[C],
GLY182C111[C],
VAL183O1113[O], 2[N], 6[C],
VAL183CG2111[O],
VAL183C212[C],
TYR184CA412[C], 2[O],
TYR184CD1811[P], 5[O], 2[C],
TYR184CE1815[O], 1[P], 2[C],
TYR184CG611[C], 1[P], 4[O],
TYR184CZ513[O], 1[P], 1[C],
TYR184CD2311[C], 2[O],
TYR184CB211[O], 1[C],
TYR184C1012[N], 3[O], 5[C],
TYR184O211[C], 1[O],
TYR184N111[C],
TYR184CE2312[O], 1[P],
HIS185O914[C], 2[N], 3[O],
HIS185CE1711[P], 3[O], 3[C],
HIS185CA1514[O], 2[N], 9[C],
HIS185ND1512[C], 3[O],
HIS185N1419[C], 2[N], 3[O],
HIS185NE21315[C], 1[P], 7[O],
HIS185C1116[C], 2[N], 3[O],
HIS185CG811[N], 3[O], 4[C],
HIS185CD21516[C], 1[P], 1[N], 7[O],
HIS185CB914[C], 3[O], 2[N],
GLN186N1116[C], 2[N], 3[O],
GLN186CB814[C], 2[O], 2[N],
GLN186O512[C], 1[N], 2[O],
GLN186C814[C], 2[N], 2[O],
GLN186OE1211[O], 1[C],
GLN186CD211[O], 1[C],
GLN186NE2111[O],
GLN186CA912[N], 3[O], 4[C],
GLN186CG411[O], 1[N], 2[C],
VAL187N915[C], 2[O], 2[N],
VAL187CG2814[C], 2[N], 2[O],
VAL187C512[C], 2[O], 1[N],
VAL187CB812[N], 2[O], 4[C],
VAL187CG1512[C], 2[O], 1[N],
VAL187O412[O], 1[N], 1[C],
VAL187CA814[C], 2[N], 2[O],
LYS188CG512[N], 1[O], 2[C],
LYS188C111[O],
LYS188N612[O], 2[N], 2[C],
LYS188CE111[O],
LYS188CA311[C], 1[N], 1[O],
LYS188NZ711[N], 3[O], 3[C],
LYS188CD211[O], 1[C],
LYS188CB311[C], 1[N], 1[O],
ARG189N211[N], 1[O],
MET190CG111[O],
MET190SD111[O],
LEU201CD1311[O], 1[N], 1[C],
LEU201CG712[O], 2[N], 3[C],
LEU201CD21212[N], 4[O], 6[C],
LEU201CB111[O],
Total = 109



Download csv file of statistical distribution of contacts