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 :C5_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 C5_S1
Complex: FAD_A_3(2ZXH) / Model_4(2ZXH/A) = [12.8] Download633.2715.21MHYPKVYDVIVIGGGHAGTEAALAAARMGRQTLLLTHNIETLGQMSCNPAIGGIGKSHLVREIDALGGAMALAADKGGIQFRILNSRKGAAVRATRAQADRVRYKAAIREILENQANLDIFQQAADDLIVEGDTVKGVVTQMGIRFDAKTVVLTTGTFLGGVIHVGLEKSSGGRAGDPPSIALAQRLRELKLPVGRLKTGTPPRIDARSVDFSVMTPQPGDFPSPVMSFMGDVSMHPEQVNCYITHTNEKTHDIIRGGLDRSPMYTGVIEGVGPRYCPSIEDKIHRFSDKDSHQVFLEPEGLDTHELYPNGISTSLPFDVQFELVRSIRGMENAHILRPGYAIEYDYFNPQALKFTLETKAINGLYFAGQINGTTGYEEAGAQGLLAGLNAARRAWEQEEWTPKRDQAYMGVLVDDLITLGTKEPYRMFTSRAEYRLMLREDNADQRLTTIGRELGLVDDVRWAAYCEKMEAVERETSRLQHLWAAPNNPMGKKFVEMTGADLSKECSAIDLLKRPNINFGQIAELTGSEVSQQVGEQIEIAVKYEGYINRQHEDVAQLKRLEETKIPADFDYDVVSGLSREITQKLKTVRPETLAQASRIPGVTPAAVQLVMITIRKNNMTKKTA
Consensus
[pKd Mean = 12.80]		-633
(s=0)		15
(s=0)		MHYPKVYDVIVIGGGHAGTEAALAAARMGRQTLLLTHNIETLGQMSCNPAIGGIGKSHLVREIDALGGAMALAADKGGIQFRILNSRKGAAVRATRAQADRVRYKAAIREILENQANLDIFQQAADDLIVEGDTVKGVVTQMGIRFDAKTVVLTTGTFLGGVIHVGLEKSSGGRAGDPPSIALAQRLRELKLPVGRLKTGTPPRIDARSVDFSVMTPQPGDFPSPVMSFMGDVSMHPEQVNCYITHTNEKTHDIIRGGLDRSPMYTGVIEGVGPRYCPSIEDKIHRFSDKDSHQVFLEPEGLDTHELYPNGISTSLPFDVQFELVRSIRGMENAHILRPGYAIEYDYFNPQALKFTLETKAINGLYFAGQINGTTGYEEAGAQGLLAGLNAARRAWEQEEWTPKRDQAYMGVLVDDLITLGTKEPYRMFTSRAEYRLMLREDNADQRLTTIGRELGLVDDVRWAAYCEKMEAVERETSRLQHLWAAPNNPMGKKFVEMTGADLSKECSAIDLLKRPNINFGQIAELTGSEVSQQVGEQIEIAVKYEGYINRQHEDVAQLKRLEETKIPADFDYDVVSGLSREITQKLKTVRPETLAQASRIPGVTPAAVQLVMITIRKNNMTKKTA



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]
ILE12CA512[N], 3[C],
ILE12CD1111[N],
ILE12C1016[C], 3[N], 1[O],
ILE12CG1211[C], 1[N],
ILE12CB713[N], 4[C],
ILE12O1211[O], 7[C], 4[N],
ILE12CG21211[O], 6[C], 5[N],
GLY13CA1514[O], 9[C], 2[N],
GLY13N1111[O], 3[N], 7[C],
GLY13O412[C], 2[O],
GLY13C1214[O], 2[N], 6[C],
GLY14C1111[P], 5[C], 5[O],
GLY14CA915[C], 4[O],
GLY14O513[O], 2[C],
GLY14N1214[O], 6[C], 2[N],
GLY15N1412[P], 5[C], 7[O],
GLY15CA1419[O], 2[P], 3[C],
GLY15C1117[O], 2[P], 2[C],
GLY15O513[O], 2[P],
HIS16ND11419[O], 3[C], 2[P],
HIS16CA612[P], 4[O],
HIS16CD2613[C], 3[O],
HIS16CE11312[P], 4[C], 7[O],
HIS16C411[P], 3[O],
HIS16CB714[O], 2[C], 1[P],
HIS16N1117[O], 2[P], 2[C],
HIS16CG913[C], 2[P], 4[O],
HIS16O111[O],
HIS16NE2613[O], 3[C],
ALA17N815[O], 2[P], 1[C],
ALA17CB511[P], 4[O],
ALA17CA413[O], 1[P],
ALA17O111[O],
ALA17C211[P], 1[O],
GLY18CA111[O],
GLY18N312[O], 1[P],
LEU35CA211[N], 1[C],
LEU35N111[C],
LEU35CB412[N], 2[C],
LEU35C611[O], 2[N], 3[C],
LEU35CG311[C], 2[N],
LEU35CD1312[N], 1[C],
LEU35O1113[O], 5[C], 3[N],
LEU35CD2111[C],
THR36CG2111[O],
THR36CA1113[O], 3[N], 5[C],
THR36N613[C], 2[N], 1[O],
THR36OG1711[N], 4[C], 2[O],
THR36C913[N], 4[C], 2[O],
THR36O311[O], 1[N], 1[C],
THR36CB612[O], 1[N], 3[C],
HIS37CB1213[N], 7[C], 2[O],
HIS37CA812[O], 2[N], 4[C],
HIS37C211[C], 1[O],
HIS37CG211[O], 1[C],
HIS37ND1111[O],
HIS37O111[O],
HIS37CD2111[O],
HIS37N1317[C], 3[N], 3[O],
ASN38O212[O],
ASN38CA111[O],
ASN38CB111[O],
ASN38N312[O], 1[C],
ASN38C111[O],
THR41OG1412[O], 2[C],
THR41C111[O],
THR41O111[O],
THR41CB111[O],
LEU42CA111[O],
LEU42CD2111[O],
LEU42N111[O],
GLN44C111[O],
GLN44O212[O],
MET45C111[O],
SER46N413[C], 1[O],
SER46C811[N], 6[C], 1[O],
SER46O515[C],
SER46CB918[C], 1[O],
SER46CA615[C], 1[O],
SER46OG511[O], 4[C],
CYS47CB1811[O], 13[C], 4[N],
CYS47SG16111[C], 4[N], 1[O],
CYS47N1011[O], 1[N], 8[C],
CYS47CA1211[O], 9[C], 2[N],
LYS56CE211[O], 1[C],
LYS56CD111[O],
LYS56NZ411[O], 1[C], 2[N],
GLN123O512[N], 3[C],
GLN123C412[C], 2[N],
ALA124N512[C], 3[N],
ALA124C613[N], 3[C],
ALA124CA714[C], 3[N],
ALA124O412[N], 2[C],
ALA124CB713[N], 4[C],
ALA125C513[C], 2[N],
ALA125CB613[C], 3[N],
ALA125O613[N], 3[C],
ALA125CA613[N], 3[C],
ALA125N713[N], 4[C],
ASP126N311[C], 2[N],
ASP126CA111[N],
ASP126OD1111[N],
THR154CB611[P], 1[C], 4[O],
THR154CG2212[O],
THR154OG1614[O], 2[C],
THR154C1215[O], 1[N], 2[P], 4[C],
THR154O1717[C], 2[P], 1[N], 7[O],
THR154CA611[C], 1[P], 4[O],
THR155CA1414[O], 8[C], 2[N],
THR155OG1211[N], 1[C],
THR155N1214[O], 2[N], 6[C],
THR155CG21111[O], 5[N], 5[C],
THR155O1812[P], 2[N], 8[C], 6[O],
THR155CB1111[O], 3[N], 7[C],
THR155C1712[P], 2[N], 8[C], 5[O],
GLY156CA1514[C], 2[P], 9[O],
GLY156C1012[P], 3[C], 5[O],
GLY156O511[C], 4[O],
GLY156N1313[C], 2[P], 8[O],
THR157N1013[C], 2[P], 5[O],
THR157OG11213[O], 1[P], 8[C],
THR157CA212[O],
THR157C212[O],
THR157CB813[O], 5[C],
THR157CG21714[O], 1[N], 12[C],
PHE158N412[C], 1[N], 1[O],
PHE158CD21313[O], 2[N], 8[C],
PHE158CE21314[O], 7[C], 2[N],
PHE158C211[N], 1[C],
PHE158CG1418[C], 2[N], 4[O],
PHE158CZ1215[O], 1[N], 6[C],
PHE158CB1111[O], 2[N], 8[C],
PHE158CD11314[O], 2[N], 1[P], 6[C],
PHE158O211[N], 1[C],
PHE158CE11211[P], 6[C], 5[O],
PHE158CA211[C], 1[N],
LEU159CA111[N],
LEU159CD1212[N],
LEU159N211[C], 1[N],
GLY173O212[C],
GLY173C111[C],
ARG174NE211[O], 1[C],
ARG174CA111[C],
ARG174CD311[C], 2[O],
ARG174N111[C],
ARG174CG311[O], 2[C],
ARG174CB111[C],
ARG174CZ813[C], 1[P], 4[O],
ALA175N111[C],
PRO179C111[N],
SER180C212[N],
SER180OG713[N], 4[C],
SER180N412[N], 2[C],
SER180CA513[C], 2[N],
SER180CB814[C], 4[N],
ILE181N111[N],
LEU183N111[N],
LEU183CG211[N], 1[C],
LEU183CB211[C], 1[N],
LEU183CD1111[N],
LEU183CA111[N],
LEU183CD2512[C], 3[N],
THR199O611[N], 5[C],
THR199CB14110[C], 3[N], 1[O],
THR199C711[N], 5[C], 1[O],
THR199CG21013[N], 6[C], 1[O],
THR199CA811[O], 1[N], 6[C],
THR199N311[N], 2[C],
THR199OG11411[O], 2[N], 11[C],
GLY200CA614[C], 1[N], 1[O],
GLY200C1018[C], 1[N], 1[O],
GLY200N911[O], 7[C], 1[N],
GLY200O1312[N], 10[C], 1[O],
THR201C111[C],
THR201N615[C], 1[N],
THR201CB918[C], 1[N],
THR201OG1515[C],
THR201CA511[N], 4[C],
THR201CG2717[C],
PRO278CG111[O],
PRO278CB211[C], 1[O],
PRO278CA111[O],
TYR341CE1313[C],
TYR341CE2414[C],
TYR341CD1111[C],
TYR341O313[C],
TYR341CG111[C],
TYR341CD2212[C],
TYR341C111[C],
TYR341CZ414[C],
ALA342CA111[C],
ALA342N111[C],
ALA342O111[C],
ALA342C212[C],
ILE343CG2818[C],
ILE343N313[C],
ILE343CA313[C],
ILE343C111[C],
ILE343O111[C],
ILE343CG1414[C],
ILE343CD1212[C],
ILE343CB616[C],
ALA368O312[O], 1[P],
ALA368C111[O],
GLY369CA614[O], 1[P], 1[C],
GLY369C614[O], 1[C], 1[P],
GLY369N311[P], 2[O],
GLY369O111[O],
GLN370C111[O],
GLN370CB1015[O], 1[P], 4[C],
GLN370CD1415[O], 1[P], 2[N], 6[C],
GLN370CA815[O], 2[C], 1[P],
GLN370N916[O], 1[P], 2[C],
GLN370OE11012[N], 6[C], 2[O],
GLN370NE21616[O], 1[P], 2[N], 7[C],
GLN370CG1618[O], 5[C], 2[P], 1[N],
ILE371CB111[O],
ILE371CA111[O],
ILE371N111[O],
THR374C111[O],
THR374O111[O],
THR375CG2913[O], 4[C], 2[N],
THR375CA1213[N], 7[C], 2[O],
THR375CB1316[C], 4[N], 3[O],
THR375C1212[O], 3[N], 7[C],
THR375O812[N], 4[C], 2[O],
THR375OG117110[C], 4[N], 3[O],
THR375N411[C], 1[N], 2[O],
GLY376O1013[O], 1[N], 6[C],
GLY376CA1312[O], 3[N], 8[C],
GLY376N1512[O], 3[N], 10[C],
GLY376C1217[C], 2[N], 3[O],
TYR377CE11012[N], 6[C], 2[O],
TYR377CD11012[N], 5[C], 3[O],
TYR377CG413[C], 1[O],
TYR377CE2111[C],
TYR377C111[O],
TYR377O211[O], 1[C],
TYR377N1113[O], 1[N], 7[C],
TYR377CB111[C],
TYR377CZ511[O], 3[C], 1[N],
TYR377CA715[C], 2[O],
GLU378OE1111[O],
GLU379OE1211[C], 1[O],
GLU379CD111[O],
GLU379OE2211[O], 1[C],
ALA380N111[O],
ALA380O111[O],
ALA380CA511[C], 1[P], 3[O],
ALA380CB811[P], 2[C], 5[O],
ALA380C212[O],
ARG427CD111[N],
ARG427NE211[O], 1[N],
ARG427CG111[N],
ARG427CZ512[O], 1[N], 2[C],
PHE429CE1111[O],
Total = 256



Download csv file of statistical distribution of contacts