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_8(2GMH) / Model_1(2GMH/A) = [10.5] Download506.7115.32MEHIERESMEFDVVIVGAGPAGLSAAIKIRQLAIENNLPDLSVCVVEKGSEVGAHILSGAVLEPHAINELFPNWKEEGAPLNVPVTEDKTFFLLSETTSKEAPHWMVPKTMYNDGNYVISLGNVVRWLGQKAEELEVSIFPGFAASEVLYHENGTVKGIQTGDMGIGKDGEPTHNFTPGYELHAKYTLFAEGCRGHLGKRLIAKYNLDKDADPQHYGIGIKELWEIDPAKHKPGLVMHGAGWPLSETGSSGGWWLYHAENNQVTLGMIVDLSYENPHMYPFMEMQRWKTHPLIKQYLEGGKRISYGARAVVKGGFNSLPKLTFPGGCLIGDDAGFLNFAKIKGSHTAMKSGMLCGEAVFEAIAAGVEKGGDLAVARVTKGEDLFVKELTSYTEKFNNSWLKEELYNARNFGPAMHKFGQWIGGAFNFIDQNVFKVPFTLHDLKQDFAVLKTVDATSFKPTYPKPDGKLTFDRLSSVFISNTVHEENQPAHLKLTDPSIPVNVNLPKWDEPAQRYCPAGVYEIMENDDGSKRFQINAANCVHCKTCDIKDPSQNITWVTPEGGGGPNYPNM
Consensus
[pKd Mean = 10.50]		-506
(s=0)		15
(s=0)		MEHIERESMEFDVVIVGAGPAGLSAAIKIRQLAIENNLPDLSVCVVEKGSEVGAHILSGAVLEPHAINELFPNWKEEGAPLNVPVTEDKTFFLLSETTSKEAPHWMVPKTMYNDGNYVISLGNVVRWLGQKAEELEVSIFPGFAASEVLYHENGTVKGIQTGDMGIGKDGEPTHNFTPGYELHAKYTLFAEGCRGHLGKRLIAKYNLDKDADPQHYGIGIKELWEIDPAKHKPGLVMHGAGWPLSETGSSGGWWLYHAENNQVTLGMIVDLSYENPHMYPFMEMQRWKTHPLIKQYLEGGKRISYGARAVVKGGFNSLPKLTFPGGCLIGDDAGFLNFAKIKGSHTAMKSGMLCGEAVFEAIAAGVEKGGDLAVARVTKGEDLFVKELTSYTEKFNNSWLKEELYNARNFGPAMHKFGQWIGGAFNFIDQNVFKVPFTLHDLKQDFAVLKTVDATSFKPTYPKPDGKLTFDRLSSVFISNTVHEENQPAHLKLTDPSIPVNVNLPKWDEPAQRYCPAGVYEIMENDDGSKRFQINAANCVHCKTCDIKDPSQNITWVTPEGGGGPNYPNM



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]
VAL16CG2211[C], 1[N],
VAL16C1116[C], 1[O], 4[N],
VAL16CA612[N], 4[C],
VAL16O1217[C], 1[O], 4[N],
VAL16CB714[C], 3[N],
VAL16CG11015[N], 5[C],
GLY17N1214[N], 1[O], 7[C],
GLY17O413[C], 1[O],
GLY17CA1814[N], 10[C], 4[O],
GLY17C1113[O], 6[C], 2[N],
ALA18O513[C], 2[O],
ALA18CA513[C], 2[O],
ALA18N1112[N], 3[O], 6[C],
ALA18C814[O], 4[C],
ALA18CB111[O],
GLY19N1214[C], 2[P], 6[O],
GLY19O312[O], 1[P],
GLY19C1016[O], 2[C], 2[P],
GLY19CA1413[C], 2[P], 9[O],
PRO20N1112[C], 2[P], 7[O],
PRO20CD1318[O], 2[P], 3[C],
PRO20O111[O],
PRO20C413[O], 1[P],
PRO20CA511[P], 4[O],
PRO20CG1212[P], 3[C], 7[O],
PRO20CB712[C], 1[P], 4[O],
ALA21C211[P], 1[O],
ALA21CA511[P], 4[O],
ALA21N511[P], 4[O],
ALA21O111[O],
ALA21CB511[P], 4[O],
GLY22CA111[O],
GLY22N312[O], 1[P],
VAL46O815[C], 3[N],
VAL46C412[C], 2[N],
VAL46CB311[C], 2[N],
VAL46CG2312[N], 1[C],
VAL46CA211[N], 1[C],
GLU47CB611[N], 3[C], 2[O],
GLU47CG1112[N], 3[O], 6[C],
GLU47OE11318[C], 3[O], 2[N],
GLU47OE21412[N], 8[C], 4[O],
GLU47N412[N], 2[C],
GLU47C814[C], 1[O], 3[N],
GLU47CD1112[N], 3[O], 6[C],
GLU47CA713[N], 3[C], 1[O],
GLU47O412[C], 2[N],
LYS48C311[C], 1[O], 1[N],
LYS48CD1317[C], 1[O], 5[N],
LYS48CA1013[N], 6[C], 1[O],
LYS48NZ1213[N], 6[C], 3[O],
LYS48CB1211[O], 7[C], 4[N],
LYS48N1317[C], 3[O], 3[N],
LYS48CE1719[C], 3[O], 5[N],
LYS48CG1311[O], 7[C], 5[N],
GLY49N512[C], 2[O], 1[N],
GLY49CA111[O],
HIS55CD2111[O],
HIS55NE2111[O],
HIS55CE1211[O], 1[C],
HIS55CG412[C], 2[O],
HIS55C412[O], 2[C],
HIS55O612[C], 4[O],
HIS55CA412[C], 2[O],
HIS55ND1512[O], 3[C],
HIS55CB512[O], 3[C],
HIS55N212[O],
ILE56CG1413[O], 1[C],
ILE56CD11011[P], 3[C], 6[O],
ILE56CA212[O],
ILE56N211[C], 1[O],
ILE56CG2313[O],
ILE56C111[O],
ILE56CB212[O],
LEU57CG414[C],
LEU57CD2515[C],
LEU57O1511[N], 3[O], 11[C],
LEU57C1019[C], 1[O],
LEU57CB212[C],
LEU57N212[O],
LEU57CA312[C], 1[O],
SER58C1512[N], 2[O], 11[C],
SER58CB2114[N], 15[C], 2[O],
SER58CA16113[C], 1[O], 2[N],
SER58O811[N], 7[C],
SER58OG2314[O], 15[C], 4[N],
SER58N1219[C], 1[O], 2[N],
GLY59CA1111[N], 1[O], 9[C],
GLY59N16111[C], 2[O], 3[N],
GLY59C815[C], 1[O], 2[N],
GLY59O311[N], 1[C], 1[O],
ALA60CA1212[O], 6[C], 4[N],
ALA60N1311[O], 8[C], 4[N],
ALA60CB811[O], 4[C], 3[N],
ALA60O311[N], 1[C], 1[O],
ALA60C714[C], 1[O], 2[N],
VAL61N912[O], 4[C], 3[N],
VAL61CG1311[N], 1[O], 1[C],
VAL61O812[N], 4[C], 2[O],
VAL61CA611[N], 3[C], 2[O],
VAL61C712[O], 3[C], 2[N],
VAL61CG2311[C], 1[O], 1[N],
VAL61CB511[N], 3[C], 1[O],
LEU62CA311[N], 1[O], 1[C],
LEU62N512[O], 2[C], 1[N],
LEU62CB111[O],
LEU62CD2111[O],
LEU62C111[O],
LEU62CG111[O],
GLU63N111[O],
LEU121CD21115[C], 4[O], 2[N],
LEU121CG312[O], 1[C],
LEU121CB111[O],
PHE143C312[N], 1[C],
PHE143O513[C], 2[N],
ALA144CB714[C], 3[N],
ALA144C613[C], 3[N],
ALA144CA713[N], 4[C],
ALA144O412[C], 2[N],
ALA144N312[N], 1[C],
ALA145CB713[N], 4[C],
ALA145O613[N], 3[C],
ALA145CA613[C], 3[N],
ALA145N713[N], 4[C],
ALA145C513[C], 2[N],
SER146N311[C], 2[N],
SER146CA111[N],
ALA190C1212[N], 4[C], 1[P], 5[O],
ALA190CB312[O], 1[P],
ALA190O1717[C], 2[P], 6[O], 2[N],
ALA190CA311[C], 2[O],
GLU191N1112[N], 3[O], 6[C],
GLU191CG1215[N], 6[C], 1[O],
GLU191C1718[C], 2[P], 5[O], 2[N],
GLU191CB1311[O], 8[C], 4[N],
GLU191CA1614[O], 9[C], 3[N],
GLU191CD814[C], 4[N],
GLU191OE2814[N], 4[C],
GLU191O1812[N], 7[O], 8[C], 1[P],
GLU191OE1512[N], 3[C],
GLY192N1612[N], 2[P], 5[C], 7[O],
GLY192C714[O], 1[C], 2[P],
GLY192O411[C], 3[O],
GLY192CA1318[O], 2[P], 3[C],
CYS193CA111[O],
CYS193N814[O], 2[C], 2[P],
CYS193CB111[O],
GLY195CA211[C], 1[N],
GLY195C111[N],
HIS196NE2111[N],
HIS196N212[N],
HIS196ND1512[C], 3[N],
HIS196CD2111[N],
HIS196CB111[N],
HIS196CG111[N],
HIS196CE1513[N], 2[C],
LEU197CB111[N],
LEU197CD1111[N],
LEU197N111[N],
LEU197CD2412[C], 2[N],
LEU197CA111[N],
LEU197CG211[N], 1[C],
ILE218C212[C],
GLY219N414[C],
GLY219O414[C],
GLY219CA515[C],
GLY219C414[C],
ILE220CA111[C],
ILE220C111[C],
ILE220N111[C],
ILE220O111[C],
LYS221CG111[C],
LYS221CD111[C],
LYS221CB111[C],
LYS221N111[C],
LYS221CA111[C],
TRP254CD1313[C],
TRP254CD2212[C],
TRP254CE2313[C],
TRP254NE1313[C],
TRP254CG212[C],
TRP254CZ2313[C],
TYR256CD1111[O],
TYR256CE1411[N], 1[O], 2[C],
TYR256CZ311[C], 1[O], 1[N],
TYR256CE2111[O],
MET267C111[C],
MET267N111[C],
MET267O111[C],
ILE268CG1313[C],
ILE268CD1515[C],
ALA307C111[C],
ARG308CA212[C],
ARG308CG311[O], 2[C],
ARG308NE613[O], 2[C], 1[P],
ARG308N212[C],
ARG308O515[C],
ARG308CB515[C],
ARG308CZ613[C], 1[P], 2[O],
ARG308CD211[C], 1[O],
ARG308C212[C],
ALA309C212[C],
ALA309N111[C],
ALA309CA111[C],
ALA309O313[C],
VAL310CA313[C],
VAL310CB711[N], 6[C],
VAL310CG2414[C],
VAL310N212[C],
VAL310CG112110[C], 1[O], 1[N],
ILE329C111[O],
ILE329O211[P], 1[O],
GLY330C511[P], 1[C], 3[O],
GLY330N211[O], 1[P],
GLY330O111[O],
GLY330CA611[C], 1[P], 4[O],
ASP331CG1215[C], 1[P], 6[O],
ASP331CB1116[O], 2[P], 3[C],
ASP331C211[O], 1[C],
ASP331OD21711[N], 2[P], 6[C], 8[O],
ASP331O111[O],
ASP331OD11014[O], 1[P], 5[C],
ASP331CA711[P], 2[C], 4[O],
ASP331N815[O], 2[C], 1[P],
ASP332CB111[O],
ASP332N211[P], 1[O],
ASP332CA111[O],
LEU336CG312[C], 1[O],
LEU336CB111[O],
LEU336CA111[O],
LEU336CD21017[C], 1[O], 2[N],
LEU336CD1311[O], 2[C],
LYS340O311[N], 1[C], 1[O],
ILE341O1418[C], 2[O], 4[N],
ILE341CB714[C], 1[O], 2[N],
ILE341CG21211[O], 7[C], 4[N],
ILE341CA811[O], 4[C], 3[N],
ILE341C1314[N], 7[C], 2[O],
LYS342C1015[C], 2[O], 3[N],
LYS342O512[N], 2[O], 1[C],
LYS342NZ311[N], 1[O], 1[C],
LYS342CA1114[N], 5[C], 2[O],
LYS342CB812[N], 4[C], 2[O],
LYS342CG814[C], 2[O], 2[N],
LYS342CD512[O], 2[C], 1[N],
LYS342CE512[O], 2[C], 1[N],
LYS342N1014[N], 4[C], 2[O],
GLY343CA1217[C], 2[O], 3[N],
GLY343C1312[N], 7[C], 4[O],
GLY343O1114[O], 6[C], 1[N],
GLY343N1318[C], 2[O], 3[N],
SER344O111[O],
SER344C511[N], 2[O], 2[C],
SER344CB1414[O], 7[C], 3[N],
SER344N1513[N], 7[C], 5[O],
SER344OG1713[N], 5[O], 9[C],
SER344CA1417[C], 5[O], 2[N],
HIS345CG111[O],
HIS345N311[N], 1[C], 1[O],
HIS345CA111[O],
HIS345CB111[O],
HIS345ND1211[C], 1[O],
HIS345CE1211[O], 1[C],
ALA347O111[O],
ALA347C111[O],
ALA347CB813[C], 1[P], 4[O],
ALA347CA511[C], 1[P], 3[O],
HIS541ND1111[O],
LYS543CE211[C], 1[N],
LYS543NZ211[N], 1[C],
TRP556CZ3111[N],
THR558CB312[N], 1[C],
THR558CG2813[N], 5[C],
THR558OG1312[N], 1[C],
Total = 274



Download csv file of statistical distribution of contacts