Binding Site Information :
Doc...
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 :C3_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 C3_S1
Complex: GDP_A_4(2RCN) / Model_2(2RCN/A) = [7.2] Download913.754.79MALIRKRRLTEQQQRRIEKQHKTRQEEVDTSQDLDGLVVQHYGRQLEVQALSVPAHHPEKPQVAEGEPEPFWKPIELNSVWRCHTRTNLELLVTGDRVKWQADPNTGLGIITAIHPRTSLLTRPDRYHKVKPVAANISLIVIVFAPLPEPAPTLIDRYLVACADANIPALLVLNKSDLLTENNPILDMLKEYENLGYEVMICHSKGDISALSQRLDGETVAFVGQSGVGKSSLINVLIPDAEQKTNIISENSALGQHTTTSTRLINFGRNGALIDSPGIREFGLWHLDLDKIRMGFPEIEAHLGSCQFRNCTHTHEKNCGLKQAVEAGEILPRRLDSFLRLIDEIQEAQQKN
Consensus
[pKd Mean = 7.20]		-913
(s=0)		4
(s=0)		MALIRKRRLTEQQQRRIEKQHKTRQEEVDTSQDLDGLVVQHYGRQLEVQALSVPAHHPEKPQVAEGEPEPFWKPIELNSVWRCHTRTNLELLVTGDRVKWQADPNTGLGIITAIHPRTSLLTRPDRYHKVKPVAANISLIVIVFAPLPEPAPTLIDRYLVACADANIPALLVLNKSDLLTENNPILDMLKEYENLGYEVMICHSKGDISALSQRLDGETVAFVGQSGVGKSSLINVLIPDAEQKTNIISENSALGQHTTTSTRLINFGRNGALIDSPGIREFGLWHLDLDKIRMGFPEIEAHLGSCQFRNCTHTHEKNCGLKQAVEAGEILPRRLDSFLRLIDEIQEAQQKN



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]
ASN174CG712[N], 4[C], 1[O],
ASN174CB411[O], 1[N], 2[C],
ASN174OD1711[O], 4[C], 2[N],
ASN174CA111[O],
ASN174ND21011[O], 5[C], 4[N],
ASN174C411[O], 1[N], 2[C],
ASN174O111[O],
LYS175CD1415[N], 7[C], 2[O],
LYS175CA911[O], 4[C], 4[N],
LYS175CB1011[O], 4[C], 5[N],
LYS175NZ1613[N], 10[C], 3[O],
LYS175N712[N], 4[C], 1[O],
LYS175C512[C], 2[N], 1[O],
LYS175O511[O], 2[C], 2[N],
LYS175CE19110[C], 5[N], 4[O],
LYS175CG1316[C], 5[N], 2[O],
SER176N311[O], 1[C], 1[N],
ASP177C212[N],
ASP177CG814[C], 3[N], 1[O],
ASP177OD1811[O], 4[C], 3[N],
ASP177OD2811[O], 4[C], 3[N],
ASP177CA212[N],
ASP177CB512[N], 2[C], 1[O],
ASP177N311[O], 2[N],
LEU178CD2512[C], 3[N],
LEU178CD1411[C], 3[N],
LEU178CB311[C], 2[N],
LEU178N312[N], 1[C],
LEU178CG411[C], 3[N],
LEU178CA111[N],
CYS202O111[O],
CYS202C111[O],
HIS203CA613[C], 2[N], 1[O],
HIS203CB1011[O], 5[N], 4[C],
HIS203C211[O], 1[C],
HIS203N911[O], 3[N], 5[C],
HIS203CG1412[O], 7[C], 5[N],
HIS203CD21412[O], 7[C], 5[N],
HIS203ND11415[N], 7[C], 2[O],
HIS203CE11618[C], 5[N], 3[O],
HIS203NE21613[O], 5[N], 8[C],
SER204N211[C], 1[O],
GLY224O111[O],
GLN225C311[P], 2[O],
GLN225O413[O], 1[P],
SER226OG111[O],
SER226CB312[O], 1[P],
SER226C411[P], 3[O],
SER226CA411[P], 3[O],
SER226O411[P], 3[O],
SER226N311[P], 2[O],
GLY227O1511[N], 6[C], 6[O], 2[P],
GLY227C1212[C], 2[P], 8[O],
GLY227N911[C], 6[O], 2[P],
GLY227CA1112[C], 2[P], 7[O],
VAL228C1417[O], 2[P], 2[N], 3[C],
VAL228CA811[C], 5[O], 2[P],
VAL228CG1111[O],
VAL228N1012[C], 6[O], 2[P],
VAL228O1012[N], 3[C], 4[O], 1[P],
VAL228CG2411[P], 3[O],
VAL228CB311[P], 2[O],
GLY229CA1918[O], 2[P], 2[N], 7[C],
GLY229C1212[C], 1[N], 2[P], 7[O],
GLY229O911[N], 1[C], 5[O], 2[P],
GLY229N1612[N], 4[C], 8[O], 2[P],
LYS230CE411[P], 3[O],
LYS230N917[O], 2[P],
LYS230CD311[P], 2[O],
LYS230CG514[O], 1[P],
LYS230CA712[P], 5[O],
LYS230CB712[P], 5[O],
LYS230O413[O], 1[P],
LYS230NZ511[P], 4[O],
LYS230C612[P], 4[O],
SER231OG816[O], 2[P],
SER231O212[O],
SER231C513[O], 2[P],
SER231N912[P], 7[O],
SER231CB912[P], 7[O],
SER231CA715[O], 2[P],
SER232OG1314[O], 1[P], 2[N], 6[C],
SER232C311[N], 1[C], 1[O],
SER232CB1516[C], 2[N], 1[P], 6[O],
SER232N812[P], 5[O], 1[C],
SER232CA613[O], 1[P], 1[N], 1[C],
LEU233N211[N], 1[O],
ARG280CD111[O],
ARG280NE111[O],
ARG280CZ111[O],
Total = 90



Download csv file of statistical distribution of contacts