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: FAD_A_3(2QAE) / Model_121(2QAE/A) = [12.6] Download512.3414.80MALEVIMPKAGVDMTEGQIVQWNKKVGEFVKEGEILLEIMTDKVSMELEAEEDGYLIAILKGDGETVPVTEVIGYLGEERENIPTAGAASPEASPVPVASTSNDDGKSDDAFDIVVIGGGPAGYVAAIKAAQFGGKVALVEKSELGGTCLNRGCIPTKTYLHNAEIIENIGHAANRGIVIENPNFTVDMEKLLETKSKVVNTLVGGVAGLLRSYGVTVHKGIGTITKDKNVLVNGSELLETKKIILAGGSKVSKINVPGMESPLVMTSDDILEMNEVPESLVIIGGGVVGIELGQAFMTFGSKVTVIEMMDRIVPAMDVEVSKNLRLILERKGMTILTGTKLQEIIEENGQLRIKVEGKDDIIASKALLSIGRMPDLEGIGEVEFELDRGCIKVNEYMETSVPGIYAPGDINGTKMLAHAAFRMGEVSAENALKGNHAVAKLNLTPAAIYTLPEVAAVGLTEEQAREKYDVAIGKFNFAANGRAIASDAAQGFVKVIADKKYGEILGVHIIGPAAAELINEASSIIEMEITVEEMLKTIHGHPTYSEVMYEAFADVLGMAIHSPKKK
Consensus
[pKd Mean = 12.60]		-512
(s=0)		14
(s=0)		MALEVIMPKAGVDMTEGQIVQWNKKVGEFVKEGEILLEIMTDKVSMELEAEEDGYLIAILKGDGETVPVTEVIGYLGEERENIPTAGAASPEASPVPVASTSNDDGKSDDAFDIVVIGGGPAGYVAAIKAAQFGGKVALVEKSELGGTCLNRGCIPTKTYLHNAEIIENIGHAANRGIVIENPNFTVDMEKLLETKSKVVNTLVGGVAGLLRSYGVTVHKGIGTITKDKNVLVNGSELLETKKIILAGGSKVSKINVPGMESPLVMTSDDILEMNEVPESLVIIGGGVVGIELGQAFMTFGSKVTVIEMMDRIVPAMDVEVSKNLRLILERKGMTILTGTKLQEIIEENGQLRIKVEGKDDIIASKALLSIGRMPDLEGIGEVEFELDRGCIKVNEYMETSVPGIYAPGDINGTKMLAHAAFRMGEVSAENALKGNHAVAKLNLTPAAIYTLPEVAAVGLTEEQAREKYDVAIGKFNFAANGRAIASDAAQGFVKVIADKKYGEILGVHIIGPAAAELINEASSIIEMEITVEEMLKTIHGHPTYSEVMYEAFADVLGMAIHSPKKK



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]
ILE117CD1814[C], 4[N],
ILE117CG21415[N], 8[C], 1[O],
ILE117CG1915[N], 4[C],
PRO121CG23111[O], 2[P], 2[N], 8[C],
PRO121CD22112[O], 2[P], 8[C],
TYR124CE1111[O],
TYR124CD1212[O],
TYR124CG111[O],
LEU139CG111[N],
LEU139CD1211[C], 1[N],
VAL140CG2412[N], 2[C],
VAL140CG1814[N], 4[C],
GLU141OE22111[P], 5[N], 10[C], 5[O],
GLU141CG1714[O], 3[N], 10[C],
GLU141CD2015[O], 10[C], 4[N], 1[P],
GLU141OE12318[O], 1[P], 4[N], 10[C],
LYS142CD1713[O], 9[C], 5[N],
LYS142CG1815[N], 10[C], 3[O],
LYS142NZ1713[O], 5[N], 9[C],
LYS142CE1813[O], 5[N], 10[C],
LEU145CD2111[O],
THR148OG131113[O], 15[C], 1[N], 2[P],
THR148CG23219[O], 18[C], 3[N], 2[P],
CYS149SG2814[N], 1[P], 15[C], 8[O],
LEU150CD1313[O],
ASN151CG211[C], 1[O],
ASN151ND2111[O],
ASN151OD1613[O], 3[C],
ARG152CG212[C],
CYS154SG28117[C], 4[N], 7[O],
ILE155CD1211[C], 1[O],
ILE155CG1111[O],
PRO156CD511[N], 4[C],
PRO156CG611[N], 5[C],
THR157OG114111[C], 2[N], 1[O],
THR157CG21111[N], 9[C], 1[O],
LYS158CD1412[O], 4[N], 8[C],
LYS158CE1414[N], 9[C], 1[O],
LYS158NZ1812[O], 12[C], 4[N],
LYS158CG711[O], 4[C], 2[N],
LEU161CD1211[N], 1[O],
ILE222CD1814[C], 4[N],
ILE222CG21015[C], 5[N],
ILE222CG11111[O], 5[N], 5[C],
THR224CG2111[N],
THR224OG1513[C], 2[N],
VAL231CG1212[N],
VAL233CG1211[C], 1[N],
VAL233CG2211[C], 1[N],
LEU246CD2211[C], 1[N],
SER250OG23110[C], 1[N], 2[P], 10[O],
VAL252CG2515[C],
VAL252CG1111[C],
THR267OG1111[C],
SER268OG818[C],
ASP269CG414[C],
ASP269OD1616[C],
ASP269OD2212[C],
ILE271CG2212[C],
LEU272CD2414[C],
LEU272CD1911[N], 8[C],
LEU272CG515[C],
VAL288CG11414[N], 9[C], 1[O],
VAL289CG11018[C], 2[N],
VAL289CG21711[O], 3[N], 13[C],
GLU292CD1218[C], 3[N], 1[O],
GLU292CG811[N], 6[C], 1[O],
GLU292OE21614[N], 11[C], 1[O],
GLU292OE11314[N], 8[C], 1[O],
LEU293CD1711[N], 6[C],
LEU293CD2616[C],
LEU293CG414[C],
LEU368CD1111[C],
LEU368CD2111[C],
ARG373CD18113[C], 1[N], 4[O],
ARG373CG1111[O], 1[N], 9[C],
ARG373NE2311[P], 1[N], 14[C], 7[O],
ARG373CZ22113[C], 1[N], 1[P], 7[O],
ASP376OD21619[C], 3[N], 4[O],
ASP376OD11013[N], 6[C], 1[O],
ASP376CG1614[O], 9[C], 3[N],
LEU377CD2412[C], 2[N],
LEU377CG111[N],
GLU378CG212[N],
ILE380CG2412[N], 2[C],
ILE380CD11015[C], 5[N],
ILE380CG1815[C], 3[N],
PRO408CD111[O],
PRO408CG111[O],
ASP410OD12419[C], 2[N], 2[P], 11[O],
ASP410CG23110[O], 9[C], 2[N], 2[P],
ASP410OD225110[O], 2[P], 2[N], 11[C],
ILE411CG1511[P], 4[O],
ILE411CG21417[O], 3[C], 2[N], 2[P],
ILE411CD1211[O], 1[P],
ASN412ND2111[O],
ASN412CG111[O],
MET416CE111[O],
MET416SD514[C], 1[O],
MET416CG813[O], 5[C],
LEU417CG1714[N], 10[C], 3[O],
LEU417CD11015[C], 3[N], 2[O],
LEU417CD22014[O], 12[C], 4[N],
HIS419CE11113[N], 5[C], 3[O],
HIS419NE2613[C], 2[N], 1[O],
HIS419CG712[O], 2[N], 3[C],
HIS419ND11213[N], 6[C], 3[O],
HIS419CD2411[O], 1[C], 2[N],
THR445CG2111[O],
TYR450CE1511[N], 3[C], 1[O],
TYR450CD21113[N], 6[C], 2[O],
TYR450CD1311[N], 1[C], 1[O],
TYR450CE21013[N], 5[C], 2[O],
TYR450CG511[O], 2[C], 2[N],
TYR450CZ912[O], 4[C], 3[N],
Total = 115



Download csv file of statistical distribution of contacts