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 :C8_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 C8_S1
Complex: ACP_C_17(4UXX) / Model_20(4UXX/C) = [4.5] Download1094.070.89MDSYSPYKGKSGLKRILNATSYSISGFKAAYQNEAAFRQIVLINLVLIPVSFFLDVTRGEHALMIIVCLFAIIVELFNSTIEAVVDRVSLEKHQLSKNAKDMGSAAQFVALSIIVATWLIILFG
Consensus
[pKd Mean = 4.50]		-1094
(s=0)		0
(s=0)		MDSYSPYKGKSGLKRILNATSYSISGFKAAYQNEAAFRQIVLINLVLIPVSFFLDVTRGEHALMIIVCLFAIIVELFNSTIEAVVDRVSLEKHQLSKNAKDMGSAAQFVALSIIVATWLIILFG



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]
GLU34OE21211[C], 3[P], 8[O],
GLU34CG815[O], 1[C], 2[P],
GLU34OE11211[C], 3[P], 8[O],
GLU34CD1113[P], 1[C], 7[O],
GLU75CD513[O], 1[C], 1[P],
GLU75OE1513[O], 1[C], 1[P],
GLU75OE2712[P], 1[C], 4[O],
GLU75CG411[P], 3[O],
ASN78OD11211[C], 3[P], 8[O],
ASN78CG1111[C], 3[P], 7[O],
ASN78ND21218[O], 1[C], 3[P],
SER79OG611[P], 1[C], 4[O],
GLU82CG19110[O], 3[P], 1[N], 5[C],
GLU82OE218110[O], 5[C], 3[P],
GLU82OE11412[C], 3[P], 9[O],
GLU82CD18110[O], 5[C], 3[P],
VAL85CG2712[O], 3[N], 2[C],
VAL85CG11312[O], 5[C], 5[N], 1[P],
ASP86CG1012[N], 1[P], 3[C], 4[O],
ASP86OD11411[P], 4[C], 4[N], 5[O],
ASP86OD21216[O], 2[N], 2[P], 2[C],
SER89OG211[C], 1[N],
LEU90CG111[N],
LEU90CD2311[C], 2[N],
GLU91CG111[N],
LYS92CE915[C], 4[N],
LYS92CD1116[C], 5[N],
LYS92NZ815[C], 3[N],
LYS92CG1116[C], 5[N],
HIS93CG412[N], 2[C],
HIS93CD2111[N],
HIS93ND1211[C], 1[N],
GLN94CG211[C], 1[N],
SER96OG1015[N], 5[C],
LYS97CE1213[N], 7[C], 2[O],
LYS97CG1713[O], 5[N], 9[C],
LYS97NZ1013[N], 6[C], 1[O],
LYS97CD1713[O], 9[C], 5[N],
LYS100CG2713[P], 5[N], 10[C], 9[O],
LYS100NZ2619[O], 10[C], 5[N], 2[P],
LYS100CE28110[O], 11[C], 5[N], 2[P],
LYS100CD30111[O], 11[C], 5[N], 3[P],
ASP101OD21619[C], 2[N], 5[O],
ASP101CG1711[P], 2[N], 9[C], 5[O],
ASP101OD12017[O], 3[N], 1[P], 9[C],
SER104OG1618[O], 5[C], 3[P],
GLN107OE1513[O], 1[P], 1[C],
GLN107NE2511[P], 1[C], 3[O],
GLN107CG413[O], 1[P],
GLN107CD511[C], 1[P], 3[O],
Total = 50



Download csv file of statistical distribution of contacts