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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C6_S1
Complex: FMN_A_9(2Z6I) / Model_2(2Z6I/A) = [7.9] Download964.1423.84MKTRITELLKIDYPIFQGGMAWVADGDLAGAVSKAGGLGIIGGGNAPKEVVKANIDKIKSLTDKPFGVNIMLLSPFVEDIVDLVIEEGVKVVTTGAGNPSKYMERFHEAGIIVIPVVPSVALAKRMEKIGADAVIAEGMEAGGHIGKLTTMTLVRQVATAVSIPVIAAGGIADGEGAAAGFMLGAEAVQVGTRFVVAKESNAHPNYKEKILKARDIDTTISAQHFGHAVRAIKNQLTRDFELAEKDAFKQEDPDLEIFEQMGAGALAKAVVHGDVEGGSVMAGQIAGLVSKEETAEEILKDLYYGAAKKIQEEASRWTGVVRND
Complex: TUI_B_10(2Z6J) / Model_21(2Z6J/B) = [7.2] Download1662.2434.27MKTRITELLKIDYPIFQGGMAWVADGDLAGAVSKAGGLGIIGGGNAPKEVVKANIDKIKSLTDKPFGVNIMLLSPFVEDIVDLVIEEGVKVVTTGAGNPSKYMERFHEAGIIVIPVVPSVALAKRMEKIGADAVIAEGMEAGGHIGKLTTMTLVRQVATAVSIPVIAAGGIADGEGAAAGFMLGAEAVQVGTRFVVAKESNAHPNYKEKILKARDIDTTISAQHFGHAVRAIKNQLTRDFELAEKDAFKQEDPDLEIFEQMGAGALAKAVVHGDVEGGSVMAGQIAGLVSKEETAEEILKDLYYGAAKKIQEEASRWTGVVRND
Consensus
[pKd Mean = 7.55]		-1313
(s=349)		29
(s=5)		MKTRITELLKIDYPIFQGGMAWVADGDLAGAVSKAGGLGIIGGGNAPKEVVKANIDKIKSLTDKPFGVNIMLLSPFVEDIVDLVIEEGVKVVTTGAGNPSKYMERFHEAGIIVIPVVPSVALAKRMEKIGADAVIAEGMEAGGHIGKLTTMTLVRQVATAVSIPVIAAGGIADGEGAAAGFMLGAEAVQVGTRFVVAKESNAHPNYKEKILKARDIDTTISAQHFGHAVRAIKNQLTRDFELAEKDAFKQEDPDLEIFEQMGAGALAKAVVHGDVEGGSVMAGQIAGLVSKEETAEEILKDLYYGAAKKIQEEASRWTGVVRND



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]
GLN17NE2221[C], 1[O],
GLN17CG121[O],
GLN17CD121[O],
MET20CE2723[N], 1[P], 7[O], 16[C],
MET20SD2727[O], 1[P], 3[N], 16[C],
MET20CG33219[C], 8[O], 6[N],
TRP22CG121[C],
TRP22CD1521[C], 1[S], 1[O], 2[N],
TRP22NE1121[S],
VAL23CG2928[C], 1[N],
VAL23CG1727[C],
ILE40CG2421[N], 2[O], 1[C],
ILE40CG1121[O],
ILE40CD1121[O],
ASN45ND21027[C], 2[S], 1[N],
ASN45CG1021[N], 7[C], 2[S],
ASN45OD1921[N], 2[S], 6[C],
ASN69ND223210[C], 1[S], 5[O], 7[N],
ASN69CG22211[C], 1[S], 4[O], 6[N],
ASN69OD12624[O], 7[N], 13[C], 2[S],
MET71CE2522[S], 13[C], 7[N], 3[O],
MET71CG2828[N], 3[O], 2[S], 15[C],
MET71SD2922[S], 15[C], 9[N], 3[O],
LEU72CD11021[N], 2[O], 7[C],
LEU72CG222[C],
LEU73CG1121[N], 1[O], 2[S], 7[C],
LEU73CD2621[N], 5[C],
LEU73CD11621[O], 3[N], 10[C], 2[S],
SER74OG221[C], 1[N],
PRO75CD321[N], 2[C],
THR93CG2121[O],
THR93OG1622[C], 2[N], 2[O],
THR94OG1523[C], 1[O], 1[N],
ASN98ND2825[C], 3[O],
ASN98OD1624[C], 2[O],
ASN98CG926[C], 3[O],
PRO99CD622[O], 4[C],
PRO99CG222[C],
LYS101NZ121[O],
VAL116CG226215[C], 4[O], 7[N],
VAL116CG12626[N], 4[O], 16[C],
VAL117CG1521[O], 4[C],
VAL117CG2222[C],
PRO118CG16211[C], 3[O], 2[N],
PRO118CD1622[N], 3[O], 11[C],
SER119OG521[O], 4[C],
LEU122CD11023[O], 7[C],
LEU122CD21223[O], 9[C],
LEU122CG1123[O], 8[C],
MET126SD121[C],
MET126CG121[C],
MET126CE221[O], 1[C],
ILE135CG21021[N], 3[O], 6[C],
ILE135CG1121[O],
ILE135CD1423[O], 1[C],
GLU137CG31215[C], 9[O], 1[P], 6[N],
GLU137OE241221[C], 1[S], 1[P], 9[O], 9[N],
GLU137OE13921[S], 22[C], 8[N], 7[O], 1[P],
GLU137CD38219[C], 1[S], 1[P], 9[O], 8[N],
GLU140CG621[C], 4[O], 1[P],
GLU140OE1121[O],
GLU140CD222[O],
GLU140OE2222[O],
HIS144CE13122[O], 7[N], 21[C], 1[S],
HIS144ND138223[C], 2[S], 3[O], 10[N],
HIS144NE22825[N], 3[O], 1[S], 19[C],
HIS144CD22822[S], 19[C], 6[N], 1[O],
HIS144CG36222[C], 2[S], 2[O], 10[N],
ILE145CG21221[O], 4[N], 7[C],
ILE145CG1322[N], 1[C],
THR150OG1421[C], 1[P], 2[O],
ILE171CD1521[P], 3[O], 1[C],
ILE171CG2321[P], 2[O],
ILE171CG1523[O], 1[P], 1[C],
GLN189CD1622[N], 6[O], 8[C],
GLN189NE22524[N], 1[P], 6[O], 14[C],
GLN189OE11121[N], 4[O], 6[C],
GLN189CG1425[C], 2[N], 1[P], 6[O],
VAL190CG2621[P], 4[O], 1[C],
VAL190CG1925[O], 1[P], 3[C],
THR192OG11825[O], 1[P], 12[C],
THR192CG21221[P], 5[O], 6[C],
ARG193CG121[O],
PHE194CD1121[O],
VAL195CG21128[C], 3[O],
VAL195CG1525[C],
TYR206CE1525[C],
TYR206CD2323[C],
TYR206CG121[C],
TYR206CE2525[C],
TYR206CZ525[C],
TYR206CD1121[C],
ILE210CG1222[C],
ILE210CD1424[C],
VAL229CG11022[N], 6[C], 2[S],
VAL229CG21423[N], 9[C], 2[S],
ARG230CD321[P], 2[O],
ARG230NE121[O],
LEU266CD11322[N], 10[C], 1[S],
LEU266CG15210[C], 1[S], 1[O], 3[N],
LEU266CD22421[O], 4[N], 17[C], 2[S],
VAL270CG1121[C],
VAL270CG2424[C],
SER279OG121[C],
VAL280CG1121[C],
MET281SD3022[S], 21[C], 6[N], 1[O],
MET281CG1924[N], 1[S], 14[C],
MET281CE2721[O], 5[N], 19[C], 2[S],
GLN284CG121[O],
ILE285CD1121[O],
ILE285CG2721[P], 5[O], 1[C],
ILE285CG1421[P], 3[O],
VAL289CG2222[O],
Total = 113



Download csv file of statistical distribution of contacts