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 :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: FAD_B_14(4CNK) / Model_21(4CNK/B) = [13.8] Download364.746.68MWYNRAMKHFDTIVIGGGPAGMMATISSSFYGQKTLLIEKNRKLGKKLAGTGGGRCNVTNNGSLDNLLAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPASDKSRTIIEALEKKITELGGQVATQIEIVSVKKVDDQFVLKSADQTFTCEKLIVTTGGKSYPSTGSTGFGHEIARHFKHTITDLEAAESPLLTDFPHKALQGISLDDVTLSYGKHVITHDLLFTHFGLSGPAALRMSSFVKGGEVLSLDVLPQLSEKDLVTFLEENREKSLKNALKTLLPERLAEFFVQGYPEKVKQLTEKEREQLVQSIKELKIPVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVMDINAHTGGFNITSALCTGWVAGSLHYD
Consensus
[pKd Mean = 13.80]		-364
(s=0)		6
(s=0)		MWYNRAMKHFDTIVIGGGPAGMMATISSSFYGQKTLLIEKNRKLGKKLAGTGGGRCNVTNNGSLDNLLAGIPGNGRFLYSVFSQFDNHDIINFFTENGVKLKVEDHGRVFPASDKSRTIIEALEKKITELGGQVATQIEIVSVKKVDDQFVLKSADQTFTCEKLIVTTGGKSYPSTGSTGFGHEIARHFKHTITDLEAAESPLLTDFPHKALQGISLDDVTLSYGKHVITHDLLFTHFGLSGPAALRMSSFVKGGEVLSLDVLPQLSEKDLVTFLEENREKSLKNALKTLLPERLAEFFVQGYPEKVKQLTEKEREQLVQSIKELKIPVTGKMSLAKSFVTKGGVSLKEINPKTLESKLVPGLHFAGEVMDINAHTGGFNITSALCTGWVAGSLHYD



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]
ILE15CG21418[C], 5[N], 1[O],
ILE15CD1714[C], 3[N],
ILE15CG1915[N], 4[C],
PRO19CG2011[N], 10[O], 7[C], 2[P],
PRO19CD2212[P], 8[C], 12[O],
MET22CE414[O],
MET22CG111[O],
LEU37CD1513[C], 1[N], 1[O],
ILE38CG1311[C], 2[N],
ILE38CD1312[N], 1[C],
ILE38CG2814[N], 4[C],
GLU39OE219110[C], 4[O], 5[N],
GLU39CG17110[C], 3[N], 4[O],
GLU39CD1814[O], 4[N], 10[C],
GLU39OE12311[P], 10[C], 8[O], 4[N],
LYS40NZ1719[C], 3[O], 5[N],
LYS40CE18110[C], 3[O], 5[N],
LYS40CG1615[N], 3[O], 8[C],
LYS40CD1618[C], 5[N], 3[O],
ASN41ND21815[O], 3[N], 1[P], 9[C],
ASN41OD11413[O], 3[N], 8[C],
ASN41CG1519[C], 3[O], 3[N],
LEU44CG111[O],
LEU44CD2411[O], 3[C],
LYS46CD412[O], 2[C],
LYS46CE111[O],
LYS46CG412[O], 2[C],
LYS46NZ111[O],
LYS47NZ2812[P], 16[C], 1[N], 9[O],
LYS47CD34118[C], 2[P], 3[N], 11[O],
LYS47CE3112[P], 18[C], 1[N], 10[O],
LYS47CG3313[N], 10[O], 2[P], 18[C],
LEU48CG1015[O], 1[P], 4[C],
LEU48CD2615[O], 1[C],
LEU48CD12314[N], 7[O], 10[C], 2[P],
THR51CG228117[C], 7[O], 4[N],
THR51OG12314[O], 4[N], 15[C],
ASN57CG1015[C], 2[O], 3[N],
ASN57ND2914[C], 2[O], 3[N],
ASN57OD11015[C], 2[O], 3[N],
ARG108CZ211[C], 1[O],
ARG108CG311[C], 1[O], 1[N],
ARG108NE311[O], 1[N], 1[C],
ARG108CD111[O],
PHE110CE1211[C], 1[O],
PHE110CE2111[O],
PHE110CD1111[O],
PHE110CZ211[O], 1[C],
ILE138CG2311[C], 2[N],
ILE138CG1111[C],
GLU139OE21015[C], 5[N],
GLU139OE1814[C], 4[N],
GLU139CG1015[N], 5[C],
GLU139CD1015[C], 5[N],
ILE140CG1914[C], 5[N],
ILE140CD1713[N], 4[C],
ILE140CG2814[N], 4[C],
VAL141CG2111[N],
VAL141CG1312[N], 1[C],
VAL143CG2111[N],
VAL166CG1111[N],
THR167OG11415[O], 2[N], 5[C], 2[P],
THR167CG2916[O], 1[P], 2[C],
THR168OG12212[P], 10[C], 5[N], 5[O],
THR168CG22015[O], 5[N], 10[C],
SER172OG15111[C], 3[O], 1[N],
TYR173CZ818[C],
TYR173CG818[C],
TYR173CD2818[C],
TYR173CE1818[C],
TYR173CD1818[C],
TYR173CE2818[C],
THR176OG11818[C], 1[P], 9[O],
THR176CG2812[O], 6[C],
SER178OG22110[C], 2[P], 8[O], 2[N],
THR179CG2613[C], 1[O], 2[N],
THR179OG11116[C], 1[O], 4[N],
PHE181CG1015[N], 5[C],
PHE181CD21116[C], 5[N],
PHE181CD1813[N], 5[C],
PHE181CZ714[C], 3[N],
PHE181CE21015[C], 5[N],
PHE181CE1613[C], 3[N],
GLU184CD111[N],
GLU184OE1111[N],
ILE185CG1111[N],
ILE185CD1512[C], 3[N],
GLU200OE1813[N], 1[O], 4[C],
GLU200CG712[N], 5[C],
LEU246CD1611[N], 1[O], 4[C],
PHE339CE112110[C], 2[N],
PHE339CZ1112[N], 9[C],
PHE339CE214111[C], 2[N], 1[O],
PHE339CD116112[C], 2[O], 2[N],
PHE339CD21714[N], 1[O], 12[C],
PHE339CG19113[C], 4[N], 2[O],
VAL340CG1911[O], 2[N], 6[C],
VAL340CG22314[N], 4[O], 15[C],
THR341OG1111[O],
GLU368CG1715[C], 2[P], 1[N], 9[O],
GLU368OE125110[O], 2[N], 2[P], 11[C],
GLU368CD2319[O], 2[N], 2[P], 10[C],
GLU368OE22117[O], 2[N], 10[C], 2[P],
VAL369CG2111[O],
VAL369CG1413[O], 1[P],
MET370CG111[O],
THR376OG11317[C], 4[N], 2[O],
THR376CG22214[O], 4[N], 14[C],
PHE379CE2311[O], 1[N], 1[C],
PHE379CD2612[O], 2[N], 2[C],
PHE379CD1311[C], 1[O], 1[N],
PHE379CZ111[O],
PHE379CE1111[O],
PHE379CG512[C], 2[N], 1[O],
ASN380OD11913[N], 5[O], 11[C],
ASN380CG2214[N], 6[O], 12[C],
ASN380ND22315[O], 4[N], 14[C],
ILE381CG12614[N], 8[O], 13[C], 1[P],
ILE381CG21816[O], 3[N], 9[C],
ILE381CD126115[C], 7[O], 4[N],
THR382CG2111[O],
THR382OG1311[C], 1[N], 1[O],
LEU385CG212[O],
LEU385CD2212[O],
THR387OG1411[P], 3[O],
Total = 125



Download csv file of statistical distribution of contacts