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 :C2_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 C2_S1
Complex: IMD_A_3(3C1J) / Model_7(3C1J/A) = [3.9] Download124.6032.27MKKMLMALSLTGALLGGTAAWAEETVTTPTSEVTATSTSEAPATIAAAPAAEETPAAPTPTAKLDTGDTSWILISTALVLLMTIPGLALFYGGMVRKKNVLSTMMFSLSAAILVSLLWVIAGYSIAFSGTGAYFGDLSKAMLNGVAFDALSGTIPESLFVIFQMTFAIITVAILSGSIADRMKYSAFMAFIAIWVLVVYAPITHWVWAADGWLFKAGALDFAGGTVVHINSGVAGLVAAYMLGKRIGLGRESMAPHNLTLTVIGASLLWVGWFGFNGGSALGAGARASMAILVTQVAAAAAAFSWLVVERMIRGKASVLGGASGAVAGLVVITPAAGFVGVGGALVMGLIGGVVCFWGITALKRLLKADDALDAFGLHAVGGIVGAILTGVFYSDEIIKAANVALAPTFAGQLWVQVEGVLATMVYSGIATFIILKVIDLIIGLRVNSDDERMGLDLSQHGERIE
Consensus
[pKd Mean = 3.90]		-124
(s=0)		32
(s=0)		MKKMLMALSLTGALLGGTAAWAEETVTTPTSEVTATSTSEAPATIAAAPAAEETPAAPTPTAKLDTGDTSWILISTALVLLMTIPGLALFYGGMVRKKNVLSTMMFSLSAAILVSLLWVIAGYSIAFSGTGAYFGDLSKAMLNGVAFDALSGTIPESLFVIFQMTFAIITVAILSGSIADRMKYSAFMAFIAIWVLVVYAPITHWVWAADGWLFKAGALDFAGGTVVHINSGVAGLVAAYMLGKRIGLGRESMAPHNLTLTVIGASLLWVGWFGFNGGSALGAGARASMAILVTQVAAAAAAFSWLVVERMIRGKASVLGGASGAVAGLVVITPAAGFVGVGGALVMGLIGGVVCFWGITALKRLLKADDALDAFGLHAVGGIVGAILTGVFYSDEIIKAANVALAPTFAGQLWVQVEGVLATMVYSGIATFIILKVIDLIIGLRVNSDDERMGLDLSQHGERIE



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]
VAL79CB111[C],
VAL79CG1312[C], 1[N],
VAL79CG2111[C],
MET82SD512[N], 3[C],
MET82CG212[C],
MET82CE513[C], 2[N],
PHE166O211[N], 1[C],
PHE166CA211[N], 1[C],
PHE166CD2512[N], 3[C],
PHE166CE2512[N], 3[C],
PHE166CE1111[N],
PHE166CG311[N], 2[C],
PHE166CZ312[C], 1[N],
PHE166CB211[N], 1[C],
PHE166CD1111[N],
ILE169CG1412[C], 2[N],
ILE169CD1111[C],
ILE169CB311[N], 2[C],
ILE169CG2513[C], 2[N],
ALA222CA211[C], 1[N],
ALA222CB311[C], 2[N],
ALA222C412[N], 2[C],
ALA222O513[C], 2[N],
GLY223N311[C], 2[N],
GLY223CA312[N], 1[C],
GLY223C312[N], 1[C],
GLY223O312[N], 1[C],
GLY224N111[C],
VAL227CG1512[N], 3[C],
VAL227CG2513[C], 2[N],
VAL227CB513[C], 2[N],
VAL227CA211[C], 1[N],
HIS228CE1513[C], 2[N],
HIS228NE2513[C], 2[N],
HIS228CG311[N], 2[C],
HIS228ND1312[C], 1[N],
HIS228CD2513[C], 2[N],
TRP272CE3312[C], 1[N],
TRP272CZ2513[C], 2[N],
TRP272CG513[C], 2[N],
TRP272CB111[C],
TRP272CA212[C],
TRP272CD2512[N], 3[C],
TRP272CE2512[N], 3[C],
TRP272CD1513[C], 2[N],
TRP272CZ3211[N], 1[C],
TRP272NE1512[N], 3[C],
PHE275C312[C], 1[N],
PHE275O211[C], 1[N],
PHE275CZ512[N], 3[C],
PHE275CA411[N], 3[C],
PHE275CE2513[C], 2[N],
PHE275CD2512[N], 3[C],
PHE275N211[N], 1[C],
PHE275CD1513[C], 2[N],
PHE275CB513[C], 2[N],
PHE275CE1512[N], 3[C],
PHE275CG512[N], 3[C],
ASN276N111[N],
ASN276OD1513[C], 2[N],
THR333CA211[C], 1[N],
THR333CG2513[C], 2[N],
THR333CB412[N], 2[C],
THR333OG1512[N], 3[C],
Total = 64



Download csv file of statistical distribution of contacts