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_B_4(3QBO) / Model_22(3QBO/B) = [4.5] Download497.6212.79MPFFIVFHFYKGKIMRAYNFCAGPAALPTAVLEKAQQELLDWQGKGLSIMEMSHRSADYVAVAEKAEADLRKLMNIPENYKVLFLQGGASLQFSAIPLNLLGKNNKADYIHTGIWSEKALKEAKRYGDINVVEAGIKVDGKFAISEQSEWNLSDDAAYVHYADNETIGGLQFAGVPDVKAPLVCDFSSSILSAPLDVSKFGLIYAGAQKNIGPAGLTIVIIRDDLLDQAKAEIPSILKYADQAKNGSMVNTPSTYAWYLSGLVFEWLLEQGGVDAIHKVNLEKAQLLYGYIDSSDFYNNPIAIPNRSIMNVPFTLADKALEKQFLKEAEANHLLNLAGHRSVGGMRASIYNAVPLEGVQALIRFMDDFAKRNG
Consensus
[pKd Mean = 4.50]		-497
(s=0)		12
(s=0)		MPFFIVFHFYKGKIMRAYNFCAGPAALPTAVLEKAQQELLDWQGKGLSIMEMSHRSADYVAVAEKAEADLRKLMNIPENYKVLFLQGGASLQFSAIPLNLLGKNNKADYIHTGIWSEKALKEAKRYGDINVVEAGIKVDGKFAISEQSEWNLSDDAAYVHYADNETIGGLQFAGVPDVKAPLVCDFSSSILSAPLDVSKFGLIYAGAQKNIGPAGLTIVIIRDDLLDQAKAEIPSILKYADQAKNGSMVNTPSTYAWYLSGLVFEWLLEQGGVDAIHKVNLEKAQLLYGYIDSSDFYNNPIAIPNRSIMNVPFTLADKALEKQFLKEAEANHLLNLAGHRSVGGMRASIYNAVPLEGVQALIRFMDDFAKRNG



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]
PRO24CD211[O], 1[C],
SER90OG813[C], 1[P], 4[O],
LEU91CG111[O],
GLN92CG111[O],
PHE93CE21217[C], 1[N], 3[O], 1[P],
PHE93CD1714[C], 1[N], 2[O],
PHE93CD2713[C], 1[P], 1[N], 2[O],
PHE93CG613[C], 1[N], 2[O],
PHE93CZ1318[C], 3[O], 1[N], 1[P],
PHE93CE11111[P], 2[O], 1[N], 7[C],
TRP115CE31515[O], 1[N], 1[P], 8[C],
TRP115CG1111[N], 2[O], 8[C],
TRP115CD21411[P], 1[N], 4[O], 8[C],
TRP115CE21418[C], 1[N], 4[O], 1[P],
TRP115NE11311[P], 1[N], 3[O], 8[C],
TRP115CZ31515[O], 1[N], 1[P], 8[C],
TRP115CD11112[O], 1[N], 8[C],
TRP115CZ21511[P], 5[O], 1[N], 8[C],
LYS118CG413[C], 1[N],
HIS160CE1111[N],
ASP163CG111[C],
ASP163OD1111[C],
ASN164CG211[C], 1[O],
ASN164ND2411[O], 3[C],
ASN164OD1111[C],
GLU165CD513[C], 1[N], 1[O],
GLU165OE2312[C], 1[N],
GLU165CG212[C],
GLU165OE1711[O], 1[N], 5[C],
THR166OG11112[O], 1[N], 8[C],
THR166CG2917[C], 1[O], 1[N],
ILE167CG1615[C], 1[O],
ILE167CD1511[O], 4[C],
ASP185CG1118[C], 2[O], 1[N],
ASP185OD21318[C], 3[O], 1[N], 1[P],
ASP185OD11112[O], 1[N], 8[C],
SER187OG1511[P], 5[O], 1[N], 8[C],
SER188OG917[C], 1[N], 1[O],
SER189OG111[C],
TYR204CE21017[C], 1[N], 2[O],
TYR204CG211[N], 1[C],
TYR204CD2715[C], 1[O], 1[N],
TYR204CZ514[C], 1[N],
TYR204CE1211[N], 1[C],
GLN208CG914[C], 4[O], 1[P],
GLN208CD1216[C], 5[O], 1[P],
GLN208OE11211[P], 5[O], 6[C],
GLN208NE21417[C], 5[O], 1[N], 1[P],
LYS209CG1213[O], 1[N], 8[C],
LYS209NZ1518[C], 1[P], 5[O], 1[N],
LYS209CD1418[C], 1[P], 1[N], 4[O],
LYS209CE1418[C], 4[O], 1[N], 1[P],
THR217OG1511[P], 4[O],
THR217CG2411[P], 3[O],
ASN310CG211[O], 1[C],
ASN310OD1411[O], 3[C],
ASN310ND2111[O],
TYR350CE1111[O],
TYR350CZ111[O],
TYR350CE2111[O],
Total = 60



Download csv file of statistical distribution of contacts