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: DP6_A_3(2OI2) / Model_22(2OI2/A) = [4.5] Download868.3311.03MTKKVGVGQAHSKIILIGEHAVVYGYPAISLPLLEVEVTCKVVPAESPWRLYEEDTLSMAVYASLEYLNITEACIRCEIDSAIPEKRGMGSSAAISIAAIRAVFDYYQADLPHDVLEILVNRAEMIAHMNPSGLDAKTCLSDQPIRFIKNVGFTELEMDLSAYLVIADTGVYGHTREAIQVVQNKGKDALPFLHALGELTQQAEIAISQKDAEGLGQILSQAHLHLKEIGVSSLEADSLVETALSHGALGAKMSGGGLGGCIIALVTNLTHAQELAERLEEKGAVQTWIESL
Consensus
[pKd Mean = 4.50]
-868
(s=0)
11
(s=0)
MTKKVGVGQAHSKIILIGEHAVVYGYPAISLPLLEVEVTCKVVPAESPWRLYEEDTLSMAVYASLEYLNITEACIRCEIDSAIPEKRGMGSSAAISIAAIRAVFDYYQADLPHDVLEILVNRAEMIAHMNPSGLDAKTCLSDQPIRFIKNVGFTELEMDLSAYLVIADTGVYGHTREAIQVVQNKGKDALPFLHALGELTQQAEIAISQKDAEGLGQILSQAHLHLKEIGVSSLEADSLVETALSHGALGAKMSGGGLGGCIIALVTNLTHAQELAERLEEKGAVQTWIESL



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]
SER12OG313[O],
LYS13CE1117[O], 2[P], 2[C],
LYS13NZ1615[C], 2[P], 9[O],
LYS13CD911[C], 6[O], 2[P],
LYS13CG413[O], 1[P],
ILE14CG1111[O],
ILE14CD1111[O],
ILE15CG11417[O], 1[P], 6[C],
ILE15CD11719[O], 2[P], 6[C],
ILE15CG2813[C], 4[O], 1[P],
GLU19OE2513[O], 2[C],
GLU19CG1215[O], 1[P], 6[C],
GLU19OE1311[O], 2[C],
GLU19CD614[C], 2[O],
HIS20ND1916[C], 3[O],
HIS20CD2916[C], 3[O],
HIS20NE21111[P], 4[O], 6[C],
HIS20CE1916[C], 3[O],
HIS20CG913[O], 6[C],
VAL22CG11016[C], 4[O],
VAL22CG2714[C], 3[O],
VAL23CG1713[O], 4[C],
VAL23CG2916[C], 3[O],
TYR24CD1111[O],
TYR24CE1111[O],
SER91OG912[P], 7[O],
SER92OG1414[C], 2[P], 8[O],
ILE95CD1212[O],
ILE95CG1111[O],
ASN121ND2111[O],
GLU124CD815[O], 2[P], 1[C],
GLU124OE21313[C], 8[O], 2[P],
GLU124OE1911[C], 6[O], 2[P],
GLU124CG313[O],
MET129CE1313[C], 8[O], 2[P],
MET129CG611[P], 5[O],
MET129SD611[P], 5[O],
ASN130CG111[C],
PRO131CD412[O], 2[C],
PRO131CG513[O], 2[C],
SER132OG1211[P], 5[O], 6[C],
LEU134CD21316[O], 1[P], 6[C],
LEU134CD1311[C], 2[O],
LEU134CG1211[P], 6[O], 5[C],
ASP135OD21615[C], 2[P], 9[O],
ASP135CG1615[C], 2[P], 9[O],
ASP135OD11312[P], 8[O], 3[C],
CYS139SG313[O],
PHE147CZ212[O],
PHE147CD2312[O], 1[C],
PHE147CG111[O],
PHE147CE2311[C], 2[O],
LYS149CE312[O], 1[C],
LYS149CG311[C], 2[O],
LYS149NZ211[C], 1[O],
LYS149CD311[C], 2[O],
TYR172CE2312[O], 1[P],
TYR172CE1212[O],
TYR172CD2212[O],
TYR172CG111[O],
TYR172CZ413[O], 1[P],
TYR172CD1111[O],
THR175CG218110[O], 2[P], 6[C],
THR175OG11618[O], 2[P], 6[C],
ARG176CG111[O],
ARG176CZ111[O],
ILE179CG2514[C], 1[O],
ILE179CD11317[O], 6[C],
ILE179CG11014[O], 6[C],
VAL182CG2111[C],
LEU226CD2111[C],
VAL231CG2111[C],
VAL231CG1111[C],
MET253CE413[C], 1[O],
SER254OG311[P], 2[O],
CYS261SG111[O],
Total = 76



Download csv file of statistical distribution of contacts