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: FMN_E_5(1ZWL) / Model_2(1ZWL/A) = [8.6] Download1145.418.42MFFLTKFVKPMQPYILVLYYSKYGSTKEMAHLIANGVESAGMNVKIRTVPNIATVVTEAEPSIPEEGDIYCTLEELANCAGLALGSPTRFGNMASEMKYFWDQTTNLWLNGALHNKPACVFTSSGSMHGGQESTLLTMLPPLFHHGMMILGLPNSIPALSNTKTGGTPYGASHVSGPRHDQSLSQDEKNLCEAQGKRLGEIVKKLYS
Consensus
[pKd Mean = 8.60]		-1145
(s=0)		8
(s=0)		MFFLTKFVKPMQPYILVLYYSKYGSTKEMAHLIANGVESAGMNVKIRTVPNIATVVTEAEPSIPEEGDIYCTLEELANCAGLALGSPTRFGNMASEMKYFWDQTTNLWLNGALHNKPACVFTSSGSMHGGQESTLLTMLPPLFHHGMMILGLPNSIPALSNTKTGGTPYGASHVSGPRHDQSLSQDEKNLCEAQGKRLGEIVKKLYS



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]
TYR19CG111[O],
TYR19CD1312[O], 1[P],
TYR19CZ111[O],
TYR19C111[O],
TYR19CE1311[P], 2[O],
TYR19CB111[O],
TYR20CZ311[P], 2[O],
TYR20CB311[P], 2[O],
TYR20CG311[P], 2[O],
TYR20C514[O], 1[P],
TYR20N212[O],
TYR20CD1212[O],
TYR20CD2514[O], 1[P],
TYR20CA311[P], 2[O],
TYR20CE2611[C], 1[P], 4[O],
TYR20O611[P], 1[C], 4[O],
TYR20CE1111[O],
SER21CB611[C], 1[P], 4[O],
SER21O614[O], 1[C], 1[P],
SER21CA712[C], 1[P], 4[O],
SER21OG811[P], 2[C], 5[O],
SER21C712[C], 1[P], 4[O],
SER21N611[C], 1[P], 4[O],
LYS22NZ715[C], 2[O],
LYS22CD1511[P], 9[C], 5[O],
LYS22CE812[O], 1[P], 5[C],
LYS22C812[C], 1[P], 5[O],
LYS22CA915[O], 1[P], 3[C],
LYS22O614[O], 1[P], 1[C],
LYS22N1011[P], 3[C], 6[O],
LYS22CG1115[O], 1[P], 5[C],
LYS22CB1311[P], 7[C], 5[O],
TYR23CE2611[P], 2[C], 3[O],
TYR23CG1116[O], 4[C], 1[P],
TYR23CE11415[O], 1[P], 8[C],
TYR23CA1016[O], 3[C], 1[P],
TYR23O916[O], 1[P], 2[C],
TYR23C916[O], 1[P], 2[C],
TYR23CZ813[O], 4[C], 1[P],
TYR23CD11516[O], 1[P], 8[C],
TYR23CD2711[P], 1[C], 5[O],
TYR23CB1011[P], 3[C], 6[O],
TYR23N1013[C], 1[P], 6[O],
GLY24O614[O], 1[C], 1[P],
GLY24CA614[O], 1[P], 1[C],
GLY24N912[C], 1[P], 6[O],
GLY24C811[P], 2[C], 5[O],
SER25CA1013[C], 1[P], 6[O],
SER25C811[P], 2[C], 5[O],
SER25N1016[O], 1[P], 3[C],
SER25CB1211[P], 4[C], 7[O],
SER25OG1214[C], 1[P], 7[O],
SER25O815[O], 2[C], 1[P],
THR26C614[O], 1[P], 1[C],
THR26O411[P], 3[O],
THR26N913[C], 1[P], 5[O],
THR26CB812[C], 1[P], 5[O],
THR26CG2812[C], 1[P], 5[O],
THR26OG11214[C], 1[P], 7[O],
THR26CA811[P], 2[C], 5[O],
LYS27CG413[O], 1[P],
LYS27NZ313[O],
LYS27C212[O],
LYS27N611[P], 1[C], 4[O],
LYS27CD411[P], 3[O],
LYS27CA413[O], 1[P],
LYS27CB413[O], 1[P],
LYS27O111[O],
LYS27CE411[P], 3[O],
GLU28N312[O], 1[P],
GLU28CA111[O],
GLU28CB111[O],
MET29CB111[O],
MET29N111[O],
MET29CG111[O],
MET29SD313[O],
GLY85O111[O],
GLY85C111[O],
SER86OG414[O],
SER86C1116[O], 4[C], 1[P],
SER86CB111[O],
SER86N212[O],
SER86CA411[P], 3[O],
SER86O1011[P], 4[C], 5[O],
PRO87CA2311[P], 12[C], 3[N], 7[O],
PRO87CB2511[P], 14[C], 3[N], 7[O],
PRO87C2914[N], 16[C], 1[P], 8[O],
PRO87N1315[C], 1[P], 7[O],
PRO87O2511[P], 15[C], 3[N], 6[O],
PRO87CG2211[N], 1[P], 13[C], 7[O],
PRO87CD1217[O], 1[P], 4[C],
THR88OG121113[C], 4[N], 4[O],
THR88N2814[N], 1[P], 15[C], 8[O],
THR88O27117[C], 4[N], 6[O],
THR88CA2516[O], 4[N], 15[C],
THR88CB2014[O], 4[N], 12[C],
THR88CG22314[N], 13[C], 6[O],
THR88C2714[N], 17[C], 6[O],
ARG89CA2414[N], 16[C], 4[O],
ARG89CB2114[N], 15[C], 2[O],
ARG89CD2616[O], 3[N], 16[C], 1[P],
ARG89O1712[O], 11[C], 4[N],
ARG89C2113[O], 4[N], 14[C],
ARG89CG26117[C], 4[N], 5[O],
ARG89N2414[N], 16[C], 4[O],
ARG89CZ2115[O], 2[N], 13[C], 1[P],
ARG89NE2214[O], 2[N], 1[P], 15[C],
PHE90CA1714[N], 11[C], 2[O],
PHE90CE11811[O], 13[C], 4[N],
PHE90O712[N], 4[C], 1[O],
PHE90CE214111[C], 2[N], 1[O],
PHE90CD11611[O], 11[C], 4[N],
PHE90N2113[O], 4[N], 14[C],
PHE90CB1513[N], 11[C], 1[O],
PHE90CD21511[O], 3[N], 11[C],
PHE90CZ1611[O], 4[N], 11[C],
PHE90CG16111[C], 4[N], 1[O],
PHE90C1311[O], 4[N], 8[C],
GLY91CA812[N], 5[C], 1[O],
GLY91N1312[O], 4[N], 7[C],
GLY91C511[O], 2[N], 2[C],
GLY91O111[O],
ASN92N714[C], 2[N], 1[O],
ASN92O1017[C], 1[N], 2[O],
ASN92CA111[O],
ASN92C111[N],
ALA94CB311[O], 2[C],
ALA94CA111[C],
THR122CG2111[O],
THR122O413[O], 1[C],
THR122CB212[O],
THR122CA413[O], 1[C],
THR122OG1713[O], 4[C],
THR122C612[C], 4[O],
SER123OG1517[O], 2[N], 1[P], 5[C],
SER123C2218[O], 3[N], 1[P], 10[C],
SER123CA1616[C], 1[P], 1[N], 8[O],
SER123O2619[O], 12[C], 1[P], 4[N],
SER123N1114[C], 1[P], 6[O],
SER123CB1317[O], 1[P], 5[C],
SER124N2113[N], 10[C], 1[P], 7[O],
SER124CA22112[C], 4[N], 6[O],
SER124O1813[N], 10[C], 5[O],
SER124OG1313[O], 7[C], 3[N],
SER124CB1916[O], 10[C], 3[N],
SER124C22112[C], 4[N], 6[O],
GLY125CA2216[O], 12[C], 4[N],
GLY125N2216[O], 12[C], 4[N],
GLY125O1314[O], 6[C], 3[N],
GLY125C1619[C], 3[N], 4[O],
SER126O713[C], 2[N], 2[O],
SER126OG1215[C], 4[N], 3[O],
SER126C512[N], 2[C], 1[O],
SER126N1715[O], 3[N], 9[C],
SER126CA1013[N], 5[C], 2[O],
SER126CB812[N], 4[C], 2[O],
MET127CA111[O],
MET127N412[N], 1[C], 1[O],
MET127O111[O],
MET127C211[C], 1[O],
HIS128C612[N], 2[C], 2[O],
HIS128N311[O], 1[C], 1[N],
HIS128O512[O], 2[C], 1[N],
HIS128CA311[O], 1[N], 1[C],
GLY129C1114[N], 4[C], 3[O],
GLY129CA1114[N], 4[C], 3[O],
GLY129N812[N], 4[C], 2[O],
GLY129O1417[C], 4[N], 3[O],
GLY130CA712[O], 2[N], 3[C],
GLY130O1014[C], 3[N], 3[O],
GLY130C712[O], 3[C], 2[N],
GLY130N812[N], 4[C], 2[O],
GLN131OE1111[O],
GLN131CG311[O], 1[N], 1[C],
GLN131CD311[C], 1[N], 1[O],
GLN131CB111[O],
GLN131NE2412[N], 1[C], 1[O],
GLN131CA311[O], 1[N], 1[C],
GLN131N511[N], 2[C], 2[O],
THR134OG11013[N], 4[C], 3[O],
THR134CB311[O], 1[C], 1[N],
HIS173C211[O], 1[C],
HIS173CB111[O],
HIS173CA111[O],
HIS173CG211[C], 1[O],
HIS173N111[O],
HIS173CD2813[C], 1[P], 4[O],
HIS173NE2513[O], 2[C],
HIS173O814[C], 4[O],
HIS173CE1111[O],
HIS173ND1111[O],
VAL174C312[C], 1[O],
VAL174O111[O],
VAL174N111[O],
VAL174CG1111[O],
VAL174CA212[O],
SER175CB1215[O], 1[P], 5[C], 1[N],
SER175OG1717[O], 2[N], 1[P], 7[C],
SER175O513[C], 2[O],
SER175N915[C], 4[O],
SER175C512[O], 3[C],
SER175CA914[O], 5[C],
GLY176CA311[C], 2[O],
GLY176C612[C], 1[N], 3[O],
GLY176N613[O], 3[C],
GLY176O1112[N], 5[C], 4[O],
PRO177O311[O], 2[C],
PRO177C211[C], 1[O],
PRO177N311[C], 1[N], 1[O],
PRO177CA411[O], 2[C], 1[N],
ARG178C111[O],
ARG178O111[O],
HIS179N311[C], 2[O],
HIS179C613[O], 3[C],
HIS179CG412[C], 2[O],
HIS179ND1111[O],
HIS179CD2212[O],
HIS179CB914[O], 5[C],
HIS179CA813[O], 5[C],
HIS179O814[O], 1[P], 3[C],
Total = 220



Download csv file of statistical distribution of contacts