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: OCA_A_2(5TIF) / Model_23(5TIF/A) = [3.3] Download397.0424.25MSIRVETQMYKSYLFGSKSLLLISLSMLPMFVSAKTILILGDSISAGYGIDPKQGWVQLLQKRLDQQYPKQHKVVNASVSGETTSGALARLPKLLQTYKPEVVVIELGGNDGLRGQPPQMIQQNLSQLIQLSQKQKAKVILFGMKIPPNYGTAYSKAFENNYKTVSQKYQVKLLPFFLDGVAGQKQLMQNDLIHPNAQAQSKLLNLAYPYIKGAL
Consensus
[pKd Mean = 3.30]		-397
(s=0)		24
(s=0)		MSIRVETQMYKSYLFGSKSLLLISLSMLPMFVSAKTILILGDSISAGYGIDPKQGWVQLLQKRLDQQYPKQHKVVNASVSGETTSGALARLPKLLQTYKPEVVVIELGGNDGLRGQPPQMIQQNLSQLIQLSQKQKAKVILFGMKIPPNYGTAYSKAFENNYKTVSQKYQVKLLPFFLDGVAGQKQLMQNDLIHPNAQAQSKLLNLAYPYIKGAL



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]
ASP42OD1917[C], 2[O],
ASP42OD21018[C], 2[O],
ASP42CG912[O], 7[C],
SER43OG816[C], 2[O],
ILE44CG2716[C], 1[O],
ILE44CD11018[C], 2[O],
ILE44CG11018[C], 2[O],
TYR48CD1311[O], 2[C],
TYR48CE2412[C], 2[O],
TYR48CG412[C], 2[O],
TYR48CE1211[C], 1[O],
TYR48CD2513[C], 2[O],
TYR48CZ412[C], 2[O],
VAL79CG1111[O],
SER80OG513[C], 2[O],
GLU82CG111[O],
GLU106CD611[O], 5[C],
GLU106CG414[C],
GLU106OE2711[O], 6[C],
GLU106OE1811[O], 7[C],
LEU107CD2211[O], 1[C],
ASN110CG1012[O], 8[C],
ASN110OD11018[C], 2[O],
ASN110ND2917[C], 2[O],
LEU113CG1012[O], 8[C],
LEU113CD2717[C],
LEU113CD11018[C], 2[O],
ARG114NE412[C], 2[O],
ARG114CZ412[O], 2[C],
MET144SD616[C],
MET144CE817[C], 1[O],
MET144CG515[C],
LYS145CG212[C],
ILE146CG2313[C],
ILE146CG1414[C],
ILE146CD1313[C],
PRO147CD414[C],
PRO147CG414[C],
TYR150CG111[C],
TYR150CD2212[C],
TYR150CE2212[C],
PHE158CD2313[C],
PHE158CZ414[C],
PHE158CE1313[C],
PHE158CE2414[C],
PHE158CG111[C],
PHE158CD1111[C],
PHE176CG313[C],
PHE176CZ616[C],
PHE176CD2313[C],
PHE176CD1515[C],
PHE176CE2515[C],
PHE176CE1616[C],
LEU178CD1515[C],
LEU178CD2717[C],
LEU178CG515[C],
ASP179OD1212[C],
ASP179CG111[C],
ASP179OD2111[C],
ILE193CG2811[O], 7[C],
HIS194ND1612[O], 4[C],
HIS194CD2715[C], 2[O],
HIS194NE2715[C], 2[O],
HIS194CE1712[O], 5[C],
HIS194CG712[O], 5[C],
PRO195CD212[C],
Total = 66



Download csv file of statistical distribution of contacts