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 :C6_S1
Best Complexes choosen after comparative docking [pKd > 3] : 3 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: DAS_C_7(1HG1) / Model_33(1HG1/C) = [4.3] Download380.5420.80MKKILVLHTGGTIAMKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYASGISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILFLQELLETKRLDISAVDGTIPIVKAYAGMQGDLLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN
Complex: ASP_A_5(5K3O) / Model_18(5K3O/A) = [4.1] Download5227.2327.06MKKILVLHTGGTIAMKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYASGISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILFLQELLETKRLDISAVDGTIPIVKAYAGMQGDLLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN
Complex: GLU_A_5(5HW0) / Model_15(5HW0/A) = [3.2] Download9764.5136.66MKKILVLHTGGTIAMKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYASGISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILFLQELLETKRLDISAVDGTIPIVKAYAGMQGDLLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN
Consensus
[pKd Mean = 3.87]		-5124
(s=3831)		28
(s=6)		MKKILVLHTGGTIAMKENMLTGGVSPDVANPLLDAEITIPKHVELLVEDIFNLPSPHIMPSHMLVLKERILSAYASGISGVVITHGTDTLEETAFFLDTTIGNKLPIVLTGAMRSSNELGSDGLYNFESAIRVASCEEALDKGVLVVMNDEIHSARYVTKTHTTNVATFRTPTLGPIGLVTKNRILFLQELLETKRLDISAVDGTIPIVKAYAGMQGDLLEAIAHTKVDGLVIEALGAGNLPPQALAALEKLLVQKIPVVLVSRCFNGIAEPVYDYEGGGKELEKMGIIFCNSINSQKARLKLLIAVNYGLSGEELISFIQN



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]
HIS8CE1131[O],
HIS8NE2131[O],
THR9OG1333[O],
THR12OG128312[O], 3[N], 13[C],
THR12CG228312[O], 3[N], 13[C],
ILE13CD1131[O],
ILE13CG1232[O],
ILE13CG21338[O], 5[C],
MET19SD632[O], 1[N], 3[C],
MET19CE131[O],
MET19CG531[O], 1[N], 3[C],
THR21OG1934[C], 4[O], 1[N],
THR21CG2931[N], 4[O], 4[C],
PHE51CZ131[O],
PHE51CE1232[O],
ASN52OD1131[O],
LEU53CG232[O],
LEU53CD1332[O], 1[C],
PRO54CD1837[O], 3[N], 8[C],
PRO54CG2238[O], 3[N], 11[C],
SER55OG2833[N], 12[O], 13[C],
PRO56CG28312[O], 13[C], 3[N],
PRO56CD28313[C], 12[O], 3[N],
HIS57CD2833[O], 2[N], 3[C],
HIS57CG131[O],
HIS57NE2232[N],
ILE58CG1634[O], 2[C],
ILE58CD1232[O],
HIS85NE2636[O],
HIS85CG1233[C], 9[O],
HIS85CE11138[O], 3[C],
HIS85ND116310[O], 6[C],
THR87OG12833[N], 12[O], 13[C],
THR87CG227311[O], 3[N], 13[C],
ASP88OD228313[C], 12[O], 3[N],
ASP88CG2833[N], 12[O], 13[C],
ASP88OD128312[O], 13[C], 3[N],
THR89CG21236[O], 3[N], 3[C],
THR89OG11036[O], 1[N], 3[C],
MET113CG935[O], 4[C],
MET113CE1034[O], 6[C],
MET113SD1638[O], 8[C],
SER115OG131[C],
ASP122OD1131[O],
ASP122OD2131[O],
ASP122CG131[O],
MET148CE732[C], 5[O],
MET148SD131[O],
LYS160CE2133[N], 7[O], 11[C],
LYS160CG432[O], 2[C],
LYS160NZ25310[O], 12[C], 3[N],
LYS160CD1537[C], 1[N], 7[O],
THR168OG1131[O],
THR168CG2131[O],
PHE169CE1332[O], 1[C],
PHE169CD1131[O],
PHE169CZ731[C], 6[O],
PHE169CE2232[O],
Total = 58



Download csv file of statistical distribution of contacts