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 :C3_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 C3_S1
Complex: FAD_A_3(4CNK) / Model_3(4CNK/A) = [13.6] Download440.106.93MEKLYDVIVVGAGTSGMMAAISAAEQGARVLLIEKNKKAGKKLLMTGGGRCNVTNNRPVDDLIAHIPGNGKFLYSTFAQWNNFDIMNFFESQGVHLKEEDHGRMFPVTNKSKTIIEALLNRLKELDVTLLFSTRVEKLIHKEHKIYGIRTEFEEFHAPAIILTTGGRTYPSTGSTGDGYKIVKRVGHTVTPLYATESPLISDEPYIQEKTLQGLSLQDITLRVLNKKGRVLTEHTMDLLFTHFGISGPAALRCSSFVNKELEKTGEPVTLSLDCFPTQTKQELIHILTEKSKATKKNLVNAWHGILPERLLVFFLERLEMDHLTGQQASQKQIQDFVQLCKEFKLSINKTFPIEKSFVTGGGVSLKEIYPKTLESKIIDGLYFAGELLDVNGYTGGFNITAAFATGHVAGMNAGQRA
Consensus
[pKd Mean = 13.60]		-440
(s=0)		6
(s=0)		MEKLYDVIVVGAGTSGMMAAISAAEQGARVLLIEKNKKAGKKLLMTGGGRCNVTNNRPVDDLIAHIPGNGKFLYSTFAQWNNFDIMNFFESQGVHLKEEDHGRMFPVTNKSKTIIEALLNRLKELDVTLLFSTRVEKLIHKEHKIYGIRTEFEEFHAPAIILTTGGRTYPSTGSTGDGYKIVKRVGHTVTPLYATESPLISDEPYIQEKTLQGLSLQDITLRVLNKKGRVLTEHTMDLLFTHFGISGPAALRCSSFVNKELEKTGEPVTLSLDCFPTQTKQELIHILTEKSKATKKNLVNAWHGILPERLLVFFLERLEMDHLTGQQASQKQIQDFVQLCKEFKLSINKTFPIEKSFVTGGGVSLKEIYPKTLESKIIDGLYFAGELLDVNGYTGGFNITAAFATGHVAGMNAGQRA



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]
VAL10CG2915[N], 4[C],
VAL10CG11415[N], 8[C], 1[O],
THR14OG11715[C], 2[P], 10[O],
THR14CG21519[O], 2[P], 4[C],
SER15OG912[P], 2[C], 5[O],
MET17CE414[O],
MET17CG111[O],
LEU32CD1511[O], 3[C], 1[N],
ILE33CG1312[N], 1[C],
ILE33CG2814[C], 4[N],
ILE33CD1312[N], 1[C],
GLU34CG1714[O], 3[N], 10[C],
GLU34OE21914[O], 10[C], 5[N],
GLU34CD1814[O], 10[C], 4[N],
GLU34OE12116[O], 1[P], 10[C], 4[N],
LYS35CE1813[O], 10[C], 5[N],
LYS35CD1715[N], 9[C], 3[O],
LYS35CG1618[C], 5[N], 3[O],
LYS35NZ1719[C], 5[N], 3[O],
ASN36OD11418[C], 3[N], 3[O],
ASN36CG1313[O], 8[C], 2[N],
ASN36ND21713[N], 9[C], 5[O],
LYS41CE111[O],
LYS41CD412[C], 2[O],
LYS41NZ111[O],
LYS41CG412[O], 2[C],
LYS42NZ2719[O], 1[N], 15[C], 2[P],
LYS42CG33110[O], 3[N], 18[C], 2[P],
LYS42CE3019[O], 18[C], 2[P], 1[N],
LYS42CD34111[O], 18[C], 2[P], 3[N],
LEU43CD2611[C], 5[O],
LEU43CG1014[C], 1[P], 5[O],
LEU43CD11816[O], 3[N], 9[C],
MET45CG717[C],
MET45SD212[C],
MET45CE313[C],
THR46CG228117[C], 4[N], 7[O],
THR46OG123115[C], 4[N], 4[O],
ASN52OD11115[C], 4[N], 2[O],
ASN52ND2914[C], 3[N], 2[O],
ASN52CG1013[N], 5[C], 2[O],
ASN55ND2111[N],
ARG103NE211[C], 1[O],
ARG103CZ211[O], 1[C],
ARG103CD311[C], 1[N], 1[O],
ARG103CG311[O], 1[C], 1[N],
PHE105CZ211[O], 1[C],
PHE105CE1111[O],
PHE105CD2111[O],
PHE105CE2211[C], 1[O],
PHE131CE2111[O],
PHE131CD2111[O],
THR133CG2312[N], 1[C],
THR133OG1111[C],
ARG134NE1015[N], 5[C],
ARG134CD915[C], 4[N],
ARG134CZ513[N], 2[C],
ARG134CG1015[N], 5[C],
VAL135CG1814[N], 4[C],
VAL135CG2914[C], 5[N],
GLU136CG312[N], 1[C],
GLU136OE1312[N], 1[C],
GLU136CD311[C], 2[N],
GLU136OE2311[C], 2[N],
ILE139CD1311[C], 2[N],
ILE139CG1111[N],
ILE148CG2211[N], 1[C],
THR150OG1111[N],
THR163OG11612[N], 6[C], 2[P], 6[O],
THR163CG2916[O], 2[C], 1[P],
THR164OG12215[O], 10[C], 2[P], 5[N],
THR164CG220110[C], 5[N], 5[O],
THR168CG2313[C],
THR168OG11713[O], 1[N], 13[C],
TYR169CE2818[C],
TYR169CD2818[C],
TYR169CE1818[C],
TYR169CZ818[C],
TYR169CD1818[C],
TYR169CG818[C],
THR172CG21011[P], 6[C], 3[O],
THR172OG11819[O], 1[P], 8[C],
SER174OG2212[N], 2[P], 10[C], 8[O],
THR175CG2611[O], 2[N], 3[C],
THR175OG11215[N], 6[C], 1[O],
ASP177OD21116[C], 5[N],
ASP177OD11015[N], 5[C],
ASP177CG1015[N], 5[C],
LYS180NZ111[N],
LYS180CD111[N],
ILE181CD1513[N], 2[C],
ILE181CG1111[N],
GLU196CG612[N], 4[C],
GLU196OE11011[O], 5[C], 4[N],
LEU251CD1511[O], 3[C], 1[N],
PHE357CZ1119[C], 2[N],
PHE357CD21711[O], 12[C], 4[N],
PHE357CD113111[C], 2[N],
PHE357CE11112[N], 9[C],
PHE357CE21412[N], 11[C], 1[O],
PHE357CG1813[N], 13[C], 2[O],
VAL358CG11011[O], 7[C], 2[N],
VAL358CG222115[C], 4[N], 3[O],
THR359OG1111[O],
GLU386CD2312[N], 2[P], 10[C], 9[O],
GLU386OE125110[O], 11[C], 2[P], 2[N],
GLU386CG1711[N], 2[P], 5[C], 9[O],
GLU386OE22117[O], 10[C], 2[P], 2[N],
LEU387CD1111[O],
LEU387CG111[O],
LEU387CD2111[O],
LEU388CG111[O],
THR394OG11312[O], 7[C], 4[N],
THR394CG22113[O], 4[N], 14[C],
PHE397CD2612[N], 2[C], 2[O],
PHE397CG511[O], 2[C], 2[N],
PHE397CE2311[O], 1[C], 1[N],
PHE397CD1311[O], 1[N], 1[C],
PHE397CE1111[O],
PHE397CZ111[O],
ASN398CG22112[C], 4[N], 6[O],
ASN398OD119111[C], 3[N], 5[O],
ASN398ND22315[O], 14[C], 4[N],
ILE399CG12618[O], 4[N], 13[C], 1[P],
ILE399CG22017[O], 3[N], 9[C], 1[P],
ILE399CD12614[N], 15[C], 7[O],
THR400OG1311[C], 1[N], 1[O],
THR400CG2111[O],
PHE403CZ313[O],
PHE403CD2111[O],
PHE403CE2111[O],
PHE403CE1511[C], 4[O],
PHE403CD1514[O], 1[C],
PHE403CG212[O],
THR405OG1413[O], 1[P],
Total = 135



Download csv file of statistical distribution of contacts