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 :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: FAD_A_20(2R46) / Model_3(2R46/A) = [13.2] Download1010.5318.50MKVQPNDYSKIYDIAVIGGGINGVGIANDAVGRGLSVFLCEKDDLASHTSSASSKLIHGGLRYLEYKEFRLVREALAEREVLLAKAPHIIKPMRFIMPHRPHLRPAWLIRAGLFFYDHLGKREKLLGSNRIYFKEDSPLKPAITRGFEYSDCTVDDARLVVLNALQAKEKGAKVVTRKRCVKAYRQQELWYLELQSGAEFYQVRAKAIVNAAGPWVEEIISENLNLSSPYQIRLIQGSHIVVPKLYDCHKAFIMQNEDRRIVFAIPYLEKYTLIGTTDQEYTGDPQKVEITDVEIDYLLTVTNSHFKKQLTRADIVSQYSGVRALCDDESDNPSAITRDYTLALQAEDKTTPLLSVFGGKITTYRKLAEAALEHLAPFFNDMAEEWTADDPLPGAENWTTLEDLINQIKTRVSGISDSLANRWAHAYGTRVWNMLKERNAIEQLGQHFGHDLFECEVRYLCEYEWAHTAEDILWRRSKLGLAFDEKQVKVLEAYLSERRLKDDAA
Consensus
[pKd Mean = 13.20]		-1010
(s=0)		18
(s=0)		MKVQPNDYSKIYDIAVIGGGINGVGIANDAVGRGLSVFLCEKDDLASHTSSASSKLIHGGLRYLEYKEFRLVREALAEREVLLAKAPHIIKPMRFIMPHRPHLRPAWLIRAGLFFYDHLGKREKLLGSNRIYFKEDSPLKPAITRGFEYSDCTVDDARLVVLNALQAKEKGAKVVTRKRCVKAYRQQELWYLELQSGAEFYQVRAKAIVNAAGPWVEEIISENLNLSSPYQIRLIQGSHIVVPKLYDCHKAFIMQNEDRRIVFAIPYLEKYTLIGTTDQEYTGDPQKVEITDVEIDYLLTVTNSHFKKQLTRADIVSQYSGVRALCDDESDNPSAITRDYTLALQAEDKTTPLLSVFGGKITTYRKLAEAALEHLAPFFNDMAEEWTADDPLPGAENWTTLEDLINQIKTRVSGISDSLANRWAHAYGTRVWNMLKERNAIEQLGQHFGHDLFECEVRYLCEYEWAHTAEDILWRRSKLGLAFDEKQVKVLEAYLSERRLKDDAA



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]
CYS40SG1216[C], 1[O], 5[N],
GLU41CG1619[C], 3[N], 4[O],
GLU41OE22014[N], 5[O], 10[C], 1[P],
GLU41OE123110[C], 1[P], 8[O], 4[N],
GLU41CD2014[N], 5[O], 10[C], 1[P],
LYS42CD1512[O], 5[N], 8[C],
LYS42CG1618[C], 3[O], 5[N],
LYS42NZ1317[C], 5[N], 1[O],
LYS42CE1315[N], 1[O], 7[C],
ASP43OD1111[O],
ASP43OD2311[C], 2[O],
ASP43CG312[O], 1[C],
LEU45CD2111[O],
LEU45CG111[O],
SER47OG1616[O], 2[N], 7[C], 1[P],
HIS48NE21618[O], 6[C], 2[P],
HIS48CD224111[O], 1[N], 2[P], 10[C],
HIS48CG2011[N], 10[O], 2[P], 7[C],
HIS48ND11315[C], 1[P], 7[O],
HIS48CE11216[O], 1[P], 5[C],
THR49CG231116[C], 2[P], 3[N], 10[O],
THR49OG12911[N], 12[O], 2[P], 14[C],
SER50OG2218[C], 2[P], 1[N], 11[O],
SER51OG212[O],
SER53OG25116[C], 5[O], 4[N],
SER54OG1814[N], 1[O], 13[C],
LYS55CD311[N], 1[O], 1[C],
LYS55CG611[O], 2[N], 3[C],
LYS55NZ714[C], 1[N], 2[O],
LEU56CD1712[N], 1[O], 4[C],
LEU56CD2512[C], 2[N], 1[O],
LEU56CG1012[O], 3[N], 5[C],
ILE57CG2311[C], 1[N], 1[O],
ILE57CD1211[N], 1[O],
ILE57CG1511[N], 2[O], 2[C],
HIS58NE21414[N], 2[O], 8[C],
HIS58CE11314[N], 2[O], 7[C],
HIS58CG914[C], 2[O], 3[N],
HIS58CD21317[C], 4[N], 2[O],
HIS58ND1913[N], 2[O], 4[C],
TYR63CE2111[C],
LEU82CD2111[O],
VAL154CG1712[N], 2[O], 3[C],
ASP156CG912[N], 3[O], 4[C],
ASP156OD1111[O],
ASP156OD21814[N], 3[O], 11[C],
LEU159CD2111[O],
VAL160CG2812[P], 1[C], 5[O],
VAL160CG1414[O],
LYS178CG111[C],
ARG179NE814[C], 4[N],
ARG179CD1015[C], 5[N],
ARG179CZ412[N], 2[C],
ARG179CG1211[O], 5[N], 6[C],
CYS180SG914[C], 5[N],
VAL181CG1111[N],
VAL181CG2312[N], 1[C],
LEU192CD2211[N], 1[C],
LEU192CD1412[C], 2[N],
LEU192CG111[N],
LEU194CG211[C], 1[N],
LEU194CD1211[N], 1[C],
ASN210OD1814[C], 1[O], 3[N],
ASN210CG111[N],
PRO214CD2412[P], 9[C], 11[O], 2[N],
PRO214CG2112[P], 9[C], 10[O],
TRP215CG1713[O], 5[N], 9[C],
TRP215NE11217[C], 3[N], 2[O],
TRP215CE21619[C], 3[N], 4[O],
TRP215CD11217[C], 2[O], 3[N],
TRP215CD22019[C], 1[P], 6[O], 4[N],
TRP215CZ21414[O], 2[N], 8[C],
TRP215CE32119[C], 1[P], 4[N], 7[O],
TRP215CZ32011[P], 9[C], 3[N], 7[O],
GLU218CD312[N], 1[C],
GLU218OE1412[C], 2[N],
GLU218CG212[N],
GLU218OE2312[N], 1[C],
ILE219CG11215[N], 1[O], 6[C],
ILE219CD11519[C], 1[O], 5[N],
ILE219CG2714[C], 3[N],
ASN223ND2815[C], 3[N],
ASN223OD1714[C], 3[N],
ASN223CG512[C], 3[N],
ILE235CG2111[C],
GLN236CG212[C],
SER238OG111[C],
HIS239CD2711[O], 1[N], 5[C],
HIS239NE214111[C], 1[O], 2[N],
HIS239ND1918[C], 1[N],
HIS239CG615[C], 1[N],
HIS239CE11412[N], 1[O], 11[C],
PHE263CD2513[C], 1[O], 1[N],
PHE263CD1111[O],
PHE263CG111[O],
PHE263CE2712[N], 1[O], 4[C],
PHE263CE1111[O],
PHE263CZ311[N], 1[O], 1[C],
ILE265CD1111[O],
THR276CG21412[N], 1[O], 11[C],
THR276OG1918[C], 1[N],
THR277OG1212[C],
ASP278OD1212[C],
PRO285CG111[O],
GLN286CG211[C], 1[O],
GLN286NE2912[N], 1[O], 6[C],
GLN286OE1111[O],
GLN286CD311[O], 2[C],
GLU294OE2111[C],
TYR319CG111[C],
TYR319CE1716[C], 1[N],
TYR319CD1515[C],
TYR319CZ414[C],
SER320OG212[C],
VAL322CG1111[C],
VAL322CG2311[O], 2[C],
ARG323CD18113[C], 3[N], 2[O],
ARG323NE1913[N], 2[O], 14[C],
ARG323CG19114[C], 2[O], 3[N],
ARG323CZ13111[C], 2[N],
LEU325CG111[O],
LEU325CD2816[C], 1[O], 1[N],
ARG338CD111[C],
ARG338NE611[N], 5[C],
ARG338CG916[C], 1[O], 2[N],
VAL356CG2311[P], 2[O],
VAL356CG1614[O], 1[C], 1[P],
LYS360CE18110[C], 4[N], 4[O],
LYS360CD18110[C], 4[O], 4[N],
LYS360CG20112[C], 4[N], 4[O],
LYS360NZ21113[C], 4[O], 4[N],
ILE361CG12811[P], 14[C], 9[O], 4[N],
ILE361CD127116[C], 7[O], 4[N],
ILE361CG22014[N], 6[O], 10[C],
THR362CG2511[O], 2[N], 2[C],
THR362OG11216[C], 2[O], 4[N],
THR363OG1412[O], 1[N], 1[C],
THR363CG2211[C], 1[O],
TYR364CD1111[O],
LEU367CD1513[O], 1[P], 1[C],
LEU367CG111[O],
LEU367CD2111[O],
Total = 142



Download csv file of statistical distribution of contacts