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 :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_2(3RP8) / Model_1(3RP8/A) = [12.3] Download745.7625.10MNVVIIGAGMGGLTTGIALKKFGHQVRIFEQTEKILPVGAAISLWSNGVKCLNYLGLTEKIAKLGGQMDDLAYVDGLTGDVMTQFSLRPLIEEVGQRPYPVARADLQNMLMDEFGRDQIYLGKKMVGLEDKADFVEVHFADGSSTQADLLIGADGTHSMTRAYVLGQQVQRRYAGYVNWNGLVEISEDLAPAQQWTTYVGEGKRASLMPVADGRFYFFLDVPLPAGLENNRDEYKKLLKQYFADWCQPVQQLIERLDPQKTNRVEIHDIEPFTQFYKGCVVILGDAAHSTTPDIGQGGCQAMEDAIYLARSLQINTLGLEDALRRYQNKRNERANELVLRARKRCDVTHMKDETVTQAWYAELRREQGGHIMQGIISNIVGNPLD
Consensus
[pKd Mean = 12.30]		-745
(s=0)		25
(s=0)		MNVVIIGAGMGGLTTGIALKKFGHQVRIFEQTEKILPVGAAISLWSNGVKCLNYLGLTEKIAKLGGQMDDLAYVDGLTGDVMTQFSLRPLIEEVGQRPYPVARADLQNMLMDEFGRDQIYLGKKMVGLEDKADFVEVHFADGSSTQADLLIGADGTHSMTRAYVLGQQVQRRYAGYVNWNGLVEISEDLAPAQQWTTYVGEGKRASLMPVADGRFYFFLDVPLPAGLENNRDEYKKLLKQYFADWCQPVQQLIERLDPQKTNRVEIHDIEPFTQFYKGCVVILGDAAHSTTPDIGQGGCQAMEDAIYLARSLQINTLGLEDALRRYQNKRNERANELVLRARKRCDVTHMKDETVTQAWYAELRREQGGHIMQGIISNIVGNPLD



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]
ILE5C211[N], 1[C],
ILE5O312[N], 1[C],
ILE6N512[N], 2[C], 1[O],
ILE6CB1317[C], 5[N], 1[O],
ILE6CG21519[C], 5[N], 1[O],
ILE6CD1714[C], 3[N],
ILE6C1915[N], 10[C], 4[O],
ILE6CA1415[N], 8[C], 1[O],
ILE6CG1713[N], 4[C],
ILE6O2215[N], 1[P], 10[C], 6[O],
GLY7O1817[C], 2[N], 2[P], 7[O],
GLY7N2015[N], 10[C], 5[O],
GLY7C2318[O], 4[N], 2[P], 9[C],
GLY7CA2619[O], 5[N], 2[P], 10[C],
ALA8CA1717[O], 2[N], 2[P], 6[C],
ALA8N2218[O], 2[P], 3[N], 9[C],
ALA8CB1215[C], 2[N], 5[O],
ALA8O1518[O], 2[P], 5[C],
ALA8C19110[O], 2[P], 2[N], 5[C],
GLY9N2212[P], 2[N], 7[C], 11[O],
GLY9CA2117[C], 1[N], 2[P], 11[O],
GLY9C1912[P], 7[C], 10[O],
GLY9O17110[O], 2[P], 5[C],
MET10O1117[O], 2[C], 2[P],
MET10CA18110[O], 2[P], 6[C],
MET10CE2118[O], 1[P], 9[C], 3[N],
MET10CG1916[C], 2[P], 1[N], 10[O],
MET10SD2519[O], 2[P], 11[C], 3[N],
MET10C1417[O], 5[C], 2[P],
MET10N2117[C], 2[P], 12[O],
MET10CB18110[O], 6[C], 2[P],
GLY11N1619[O], 5[C], 2[P],
GLY11CA1312[P], 4[C], 7[O],
GLY11O514[O], 1[P],
GLY11C1113[C], 2[P], 6[O],
GLY12O111[O],
GLY12CA916[O], 1[P], 2[C],
GLY12C311[P], 2[O],
GLY12N1414[C], 2[P], 8[O],
LEU13N311[P], 2[O],
LEU13CG111[O],
LEU13CD1111[O],
LEU13CA111[O],
LEU13CB111[O],
THR14OG1411[P], 3[O],
THR14CG2212[O],
THR14CB111[O],
THR14N111[O],
THR15OG1111[O],
PHE29CD1111[C],
PHE29CB513[C], 2[N],
PHE29O1815[N], 10[C], 3[O],
PHE29CD2111[C],
PHE29CG312[N], 1[C],
PHE29N311[C], 2[N],
PHE29CA412[C], 2[N],
PHE29C1313[N], 7[C], 3[O],
GLU30CA1813[O], 5[N], 10[C],
GLU30OE122110[C], 4[N], 1[P], 7[O],
GLU30CB1613[N], 10[C], 3[O],
GLU30CG17110[C], 3[N], 4[O],
GLU30OE22014[O], 1[P], 5[N], 10[C],
GLU30C1715[N], 9[C], 3[O],
GLU30CD1914[N], 1[P], 10[C], 4[O],
GLU30N1413[N], 8[C], 3[O],
GLU30O1213[O], 6[C], 3[N],
GLN31C1615[N], 8[C], 3[O],
GLN31CD1518[C], 5[N], 2[O],
GLN31OE11715[N], 9[C], 3[O],
GLN31CA1719[C], 5[N], 3[O],
GLN31CB1713[O], 9[C], 5[N],
GLN31CG1615[N], 8[C], 3[O],
GLN31O1317[C], 5[N], 1[O],
GLN31N1813[O], 10[C], 5[N],
GLN31NE21315[N], 7[C], 1[O],
THR32CG21413[O], 8[C], 3[N],
THR32CA1112[O], 2[N], 7[C],
THR32N1713[O], 9[C], 5[N],
THR32OG11113[O], 2[N], 6[C],
THR32O612[O], 3[C], 1[N],
THR32C512[C], 1[N], 2[O],
THR32CB1112[N], 6[C], 3[O],
GLU33N111[O],
LYS34O111[O],
ILE35C212[O],
ILE35O312[O], 1[C],
ALA40CB212[C],
ALA40N313[C],
ALA41CA1012[O], 7[C], 1[N],
ALA41CB513[C], 1[N], 1[O],
ALA41N816[C], 1[N], 1[O],
ALA41C1914[N], 13[C], 2[O],
ALA41O21114[C], 4[N], 3[O],
ILE42O1114[N], 5[C], 2[O],
ILE42C1613[O], 9[C], 4[N],
ILE42CG22615[O], 17[C], 4[N],
ILE42CA20113[C], 4[N], 3[O],
ILE42CD12316[O], 13[C], 4[N],
ILE42CB2415[O], 4[N], 15[C],
ILE42CG12115[O], 12[C], 4[N],
ILE42N1913[O], 12[C], 4[N],
SER43CA1115[C], 4[N], 2[O],
SER43OG812[O], 3[N], 3[C],
SER43C1115[C], 4[N], 2[O],
SER43CB1012[O], 5[C], 3[N],
SER43N1613[O], 9[C], 4[N],
SER43O1314[N], 7[C], 2[O],
LEU44C612[O], 2[C], 2[N],
LEU44CD21113[O], 3[N], 5[C],
LEU44O411[N], 1[C], 2[O],
LEU44N914[C], 3[N], 2[O],
LEU44CD1311[C], 1[N], 1[O],
LEU44CB612[C], 2[N], 2[O],
LEU44CG812[O], 4[C], 2[N],
LEU44CA812[N], 4[C], 2[O],
TRP45CD2512[C], 1[N], 2[O],
TRP45CZ2311[N], 1[C], 1[O],
TRP45C111[O],
TRP45CE2613[C], 1[N], 2[O],
TRP45CB512[O], 2[C], 1[N],
TRP45O111[O],
TRP45CD1913[N], 4[C], 2[O],
TRP45N612[C], 2[N], 2[O],
TRP45CG512[O], 2[C], 1[N],
TRP45CA412[O], 1[C], 1[N],
TRP45NE1914[C], 3[N], 2[O],
ASN47OD1111[O],
ASN47ND2111[O],
ASN47CG111[O],
GLY48N111[O],
GLY48CA111[O],
GLY48C111[O],
TYR99O211[O], 1[N],
PRO100CA311[N], 1[C], 1[O],
PRO100CB111[O],
VAL101N111[O],
VAL101CG2111[N],
VAL101O211[O], 1[C],
ARG103CA111[O],
ARG103CB212[O],
ARG103NE25114[C], 3[N], 1[P], 7[O],
ARG103CZ28117[C], 1[P], 3[N], 7[O],
ARG103CG15111[C], 2[N], 2[O],
ARG103CD2314[O], 16[C], 3[N],
LEU106CD2613[O], 3[C],
GLN107CD815[O], 1[P], 2[C],
GLN107OE1712[C], 1[P], 4[O],
GLN107CG212[O],
GLN107NE21519[O], 4[C], 2[P],
TYR120O211[N], 1[C],
GLY122O111[C],
GLY122N211[N], 1[C],
GLY122CA111[C],
GLY122C312[N], 1[C],
LYS123CA714[C], 3[N],
LYS123C1015[N], 5[C],
LYS123N513[C], 2[N],
LYS123CB412[C], 2[N],
LYS123O1312[O], 5[N], 6[C],
LYS123CG111[C],
LYS124CD1015[C], 5[N],
LYS124CE1015[C], 5[N],
LYS124N915[N], 4[C],
LYS124CB1015[C], 5[N],
LYS124CA1116[C], 5[N],
LYS124C1015[N], 5[C],
LYS124CG1116[C], 5[N],
LYS124O814[N], 4[C],
LYS124NZ713[N], 4[C],
MET125O1015[N], 5[C],
MET125CA915[N], 4[C],
MET125C814[C], 4[N],
MET125CB915[N], 4[C],
MET125SD613[C], 3[N],
MET125CE814[N], 4[C],
MET125CG714[C], 3[N],
MET125N1015[N], 5[C],
VAL126CA311[C], 2[N],
VAL126O111[N],
VAL126N512[N], 3[C],
VAL126CG2111[N],
VAL126CB312[N], 1[C],
VAL126C311[C], 2[N],
VAL126CG1312[N], 1[C],
GLY127N212[N],
HIS138O412[N], 2[C],
PHE139CA311[C], 2[N],
PHE139CZ211[N], 1[C],
PHE139CB211[C], 1[N],
PHE139CD1513[N], 2[C],
PHE139CE1613[C], 3[N],
PHE139CG211[N], 1[C],
ALA140N212[N],
GLY152O212[O],
GLY152C311[C], 2[O],
ALA153O27110[O], 11[C], 4[N], 2[P],
ALA153CA1716[C], 2[N], 2[P], 7[O],
ALA153C2619[O], 11[C], 4[N], 2[P],
ALA153CB1216[O], 4[C], 2[P],
ALA153N1315[O], 2[N], 1[P], 5[C],
ASP154CA2615[N], 10[C], 2[P], 9[O],
ASP154C27110[O], 2[P], 5[N], 10[C],
ASP154O26110[C], 5[N], 2[P], 9[O],
ASP154CG1712[O], 5[N], 10[C],
ASP154N27110[O], 10[C], 5[N], 2[P],
ASP154CB23110[C], 5[N], 1[P], 7[O],
ASP154OD11518[C], 5[N], 2[O],
ASP154OD21415[N], 8[C], 1[O],
GLY155C2118[O], 2[P], 2[N], 9[C],
GLY155N2812[P], 5[N], 11[C], 10[O],
GLY155CA27111[O], 11[C], 3[N], 2[P],
GLY155O1912[P], 2[N], 9[C], 6[O],
THR156OG1412[O], 1[P], 1[C],
THR156CB611[C], 1[P], 4[O],
THR156CA912[P], 3[C], 4[O],
THR156CG21919[O], 2[P], 8[C],
THR156C411[N], 1[C], 2[O],
THR156N2118[C], 2[N], 2[P], 9[O],
HIS157C713[N], 4[C],
HIS157CA411[N], 2[C], 1[O],
HIS157O713[N], 4[C],
HIS157CD2311[N], 1[C], 1[O],
HIS157CG211[C], 1[N],
HIS157N712[C], 2[N], 1[P], 2[O],
HIS157CB412[C], 2[N],
SER158O512[N], 3[C],
SER158OG512[N], 3[C],
SER158CB713[N], 4[C],
SER158CA1111[O], 6[C], 4[N],
SER158C814[C], 4[N],
SER158N913[N], 5[C], 1[O],
MET159C512[C], 3[N],
MET159CA714[C], 3[N],
MET159CB1015[C], 5[N],
MET159N1015[N], 5[C],
MET159CG1015[N], 5[C],
MET159SD713[N], 4[C],
MET159CE512[C], 3[N],
MET159O211[C], 1[N],
THR160CG2613[N], 3[C],
THR160CA211[C], 1[N],
THR160CB312[N], 1[C],
THR160N512[C], 3[N],
THR160OG1311[N], 2[C],
TYR176CZ111[C],
TYR176CE1111[C],
ASN178CG717[C],
ASN178CB515[C],
ASN178ND2716[C], 1[N],
ASN178N111[C],
ASN178CA212[C],
ASN178C111[C],
ASN178OD1911[N], 8[C],
ASN178O212[C],
TRP179N111[C],
TRP179O111[C],
TRP179C111[C],
TRP179CA111[C],
ASN180C111[C],
ASN180CA111[C],
ASN180CB616[C],
ASN180N111[C],
ASN180ND2818[C],
ASN180OD1616[C],
ASN180CG616[C],
TRP195CZ2111[O],
MET208CE211[C], 1[O],
MET208SD311[O], 1[C], 1[N],
MET208CG111[O],
TYR216CE21118[C], 2[N], 1[O],
TYR216CD1614[C], 1[N], 1[O],
TYR216CD2611[O], 1[N], 4[C],
TYR216CZ14110[C], 3[N], 1[O],
TYR216CG311[O], 1[N], 1[C],
TYR216CE11011[O], 8[C], 1[N],
PHE218CE2611[N], 4[C], 1[O],
PHE218CE1212[C],
PHE218CD2614[C], 1[N], 1[O],
PHE218CB313[C],
PHE218CZ411[O], 2[C], 1[N],
PHE218CG411[N], 3[C],
PHE218CD1313[C],
ASP220OD1111[C],
ASN262CB111[C],
ASN262O111[C],
VAL264O212[C],
VAL264C212[C],
VAL264N212[C],
VAL264CB616[C],
VAL264CG2616[C],
VAL264CA212[C],
VAL264CG1616[C],
GLU265O111[C],
GLU265C111[C],
ILE266CG1515[C],
ILE266CD1818[C],
ILE266C111[C],
ILE266CA313[C],
ILE266CB414[C],
ILE266N212[C],
ILE266CG2414[C],
HIS267N111[C],
HIS267O111[C],
LEU283C611[C], 1[P], 4[O],
LEU283N111[O],
LEU283O915[O], 2[P], 2[C],
LEU283CD2511[P], 4[O],
LEU283CB312[O], 1[P],
LEU283CA311[P], 2[O],
LEU283CG311[P], 2[O],
GLY284O913[C], 1[P], 5[O],
GLY284N815[O], 1[P], 2[C],
GLY284CA1317[O], 4[C], 2[P],
GLY284C1418[O], 4[C], 2[P],
ASP285CB18110[O], 6[C], 2[P],
ASP285OD22512[N], 11[C], 2[P], 10[O],
ASP285OD12512[N], 2[P], 11[C], 10[O],
ASP285N1719[O], 2[P], 6[C],
ASP285CA1719[O], 6[C], 2[P],
ASP285C1317[O], 2[P], 4[C],
ASP285O711[C], 1[P], 5[O],
ASP285CG2412[P], 2[N], 10[C], 10[O],
ALA286CB614[O], 1[C], 1[P],
ALA286CA511[P], 1[C], 3[O],
ALA286C111[O],
ALA286N1112[C], 2[P], 7[O],
ALA287CA111[O],
ALA287N111[O],
HIS288CD2111[O],
HIS288ND1412[O], 2[C],
HIS288CG212[O],
HIS288N111[O],
HIS288CE1713[O], 1[P], 3[C],
HIS288C212[O],
HIS288NE2212[O],
HIS288O814[O], 3[C], 1[P],
SER289CA211[C], 1[O],
SER289OG111[O],
SER289CB111[O],
SER289N111[O],
SER289C111[O],
THR290N413[C], 1[O],
THR290O1612[O], 2[N], 12[C],
THR290C711[N], 5[C], 1[O],
THR290CB311[O], 1[C], 1[N],
THR290CA211[O], 1[C],
THR290OG1111[C],
THR290CG216110[C], 3[N], 3[O],
THR291C14111[C], 3[N],
THR291N414[C],
THR291CA1011[N], 9[C],
THR291O1413[N], 10[C], 1[O],
PRO292C1811[O], 4[N], 13[C],
PRO292CG1611[O], 3[N], 12[C],
PRO292N1611[O], 3[N], 12[C],
PRO292CD13111[C], 2[N],
PRO292CA2214[O], 14[C], 4[N],
PRO292CB2314[O], 15[C], 4[N],
PRO292O1914[N], 13[C], 2[O],
ASP293C411[O], 2[C], 1[N],
ASP293N1411[O], 10[C], 3[N],
ASP293O111[O],
ASP293CA513[C], 1[N], 1[O],
ILE294N811[O], 2[N], 5[C],
ILE294O914[C], 3[N], 2[O],
ILE294CA611[O], 2[N], 3[C],
ILE294C1114[N], 5[C], 2[O],
GLY295CA1714[N], 11[C], 2[O],
GLY295C1714[N], 10[C], 3[O],
GLY295O1412[O], 4[N], 8[C],
GLY295N1519[C], 4[N], 2[O],
GLN296CA1614[N], 9[C], 3[O],
GLN296CG812[O], 2[N], 4[C],
GLN296O1513[N], 10[C], 2[O],
GLN296C19111[C], 4[N], 4[O],
GLN296NE2311[N], 1[C], 1[O],
GLN296OE1411[O], 1[C], 2[N],
GLN296N1813[O], 11[C], 4[N],
GLN296CD512[C], 2[N], 1[O],
GLN296CB1012[O], 3[N], 5[C],
GLY297N2315[O], 14[C], 4[N],
GLY297CA2514[N], 14[C], 7[O],
GLY297O2318[O], 1[P], 3[N], 11[C],
GLY297C2417[O], 4[N], 1[P], 12[C],
GLY298CA2611[P], 4[N], 12[C], 9[O],
GLY298N2617[O], 14[C], 1[P], 4[N],
GLY298C2011[P], 10[C], 3[N], 6[O],
GLY298O1813[N], 1[P], 7[C], 7[O],
CYS299CB812[O], 2[N], 4[C],
CYS299SG812[O], 4[C], 2[N],
CYS299CA1312[O], 8[C], 3[N],
CYS299C612[O], 2[N], 2[C],
CYS299N1916[O], 10[C], 3[N],
CYS299O311[N], 1[C], 1[O],
GLN300C612[C], 4[O],
GLN300CG411[C], 1[N], 2[O],
GLN300CA412[O], 1[C], 1[N],
GLN300CD212[O],
GLN300CB412[O], 1[N], 1[C],
GLN300NE2511[N], 2[C], 2[O],
GLN300N1112[N], 7[C], 2[O],
ALA301O411[P], 3[O],
ALA301CA1117[O], 3[C], 1[P],
ALA301N1311[P], 5[C], 1[N], 6[O],
ALA301C712[C], 1[P], 4[O],
ALA301CB1512[P], 5[C], 8[O],
MET302CE612[O], 2[N], 2[C],
MET302SD211[O], 1[C],
MET302CG111[O],
MET302N614[O], 2[C],
MET302CB111[O],
ASP304OD2111[O],
Total = 412



Download csv file of statistical distribution of contacts