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] : 2 (5 maxi)

Complexes [Theoretical pKd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C5_S1
Complex: 2K8_A_5(4NJH) / Model_21(4NJH/A) = [4.0] Download524.789.00MASLRSSAIPVSDPASGLRITEIFYSLQGEANASGLPTVFIRLTGCPLRCSYCDTTYSFEGGERLSLEHIIETAEKYQTPYICVTGGEPLAQPNCLILLQRLCDAGFDVSLETSGALDVSRVDPRVSKVLDLKTPTSGEEHRNLISNLDHLTPRDQIKFVICNREDYEWSKQQVEQYQLQTKVSTVWFSPAFAVEKGAVGLPRLARDMAQWILDDKLPVRFQLQLHKLLWNDESGR
Complex: SF4_A_3(4NJH) / Model_21(4NJH/A) = [3.4] Download348.005.89MASLRSSAIPVSDPASGLRITEIFYSLQGEANASGLPTVFIRLTGCPLRCSYCDTTYSFEGGERLSLEHIIETAEKYQTPYICVTGGEPLAQPNCLILLQRLCDAGFDVSLETSGALDVSRVDPRVSKVLDLKTPTSGEEHRNLISNLDHLTPRDQIKFVICNREDYEWSKQQVEQYQLQTKVSTVWFSPAFAVEKGAVGLPRLARDMAQWILDDKLPVRFQLQLHKLLWNDESGR
Consensus
[pKd Mean = 3.70]		-436
(s=88)		7
(s=1)		MASLRSSAIPVSDPASGLRITEIFYSLQGEANASGLPTVFIRLTGCPLRCSYCDTTYSFEGGERLSLEHIIETAEKYQTPYICVTGGEPLAQPNCLILLQRLCDAGFDVSLETSGALDVSRVDPRVSKVLDLKTPTSGEEHRNLISNLDHLTPRDQIKFVICNREDYEWSKQQVEQYQLQTKVSTVWFSPAFAVEKGAVGLPRLARDMAQWILDDKLPVRFQLQLHKLLWNDESGR



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]
GLU22OE1121[O],
GLU22CD221[C], 1[O],
GLU22OE2622[C], 2[N], 2[O],
GLU22CG121[O],
PHE24CD2623[C], 1[O], 2[N],
PHE24CE11427[C], 2[O], 5[N],
PHE24CD1924[C], 4[N], 1[O],
PHE24CG622[N], 1[O], 3[C],
PHE24CZ1525[N], 3[O], 7[C],
PHE24CE21222[O], 4[N], 6[C],
SER26OG824[C], 3[N], 1[O],
LEU27CD2121[N],
LEU27CG121[N],
LEU27CD1121[N],
GLN28OE11527[C], 3[O], 5[N],
GLN28CD1425[N], 2[O], 7[C],
GLN28NE21427[C], 2[O], 5[N],
GLN28CG1125[C], 1[O], 5[N],
GLU30OE11424[N], 3[O], 7[C],
GLU30CG1523[O], 5[N], 7[C],
GLU30OE21525[N], 3[O], 7[C],
GLU30CD1527[C], 3[O], 5[N],
THR38CG2824[C], 4[N],
PHE40CD21523[O], 5[N], 7[C],
PHE40CZ1527[C], 5[N], 3[O],
PHE40CG1527[C], 5[N], 3[O],
PHE40CE21527[C], 5[N], 3[O],
PHE40CE11523[O], 5[N], 7[C],
PHE40CD11523[O], 5[N], 7[C],
ARG42CD923[O], 1[N], 1[S], 4[C],
ARG42CG721[S], 2[C], 1[N], 3[O],
ARG42NE1126[C], 3[O], 2[N],
ARG42CZ1427[C], 4[N], 3[O],
CYS46SG824[S], 4[F],
PRO47CD724[F], 3[S],
PRO47CG422[F], 2[S],
LEU48CD2422[S], 2[F],
LEU48CD1824[F], 4[S],
LEU48CG824[F], 4[S],
CYS50SG824[F], 4[S],
TYR52CD1121[F],
CYS53SG923[F], 4[S], 1[O],
ASP54OD21021[N], 2[O], 6[C], 1[S],
ASP54OD11425[C], 3[F], 2[S], 1[N], 3[O],
ASP54CG921[N], 2[O], 1[S], 4[C], 1[F],
THR55CG21223[O], 1[N], 2[S], 4[C], 2[F],
THR55OG11623[O], 2[N], 2[F], 6[C], 3[S],
TYR57CZ1624[C], 4[F], 4[S], 1[N], 3[O],
TYR57CD2922[O], 3[S], 1[C], 2[F],
TYR57CE21323[S], 3[F], 3[C], 3[O], 1[N],
TYR57CG722[F], 3[S], 1[O],
TYR57CD11021[O], 3[F], 1[C], 4[S],
TYR57CE11321[N], 2[O], 4[S], 2[C], 4[F],
CYS83SG1227[C], 3[N], 2[O],
THR85CG21326[C], 3[O], 4[N],
THR85OG11321[S], 1[F], 6[C], 3[O], 2[N],
GLU88OE1724[F], 3[S],
GLU88OE2422[F], 2[S],
GLU88CD422[S], 2[F],
GLU88CG422[F], 2[S],
PRO89CG221[S], 1[O],
PRO89CD521[O], 2[S], 1[F],
GLU112CD1025[C], 2[O], 3[N],
GLU112OE11023[N], 2[O], 5[C],
GLU112CG1023[N], 2[O], 5[C],
GLU112OE21025[C], 2[O], 3[N],
SER114OG723[F], 4[S],
VAL126CG1221[O], 1[C],
THR134OG1321[S], 1[O],
THR134CG2422[S], 2[F],
THR136CG2623[S], 3[F],
THR136OG1824[S], 4[F],
GLU139OE1623[S], 3[F],
GLU139CG121[S],
GLU139OE2522[S], 3[F],
GLU139CD423[F], 1[S],
LYS158NZ1022[O], 3[N], 5[C],
LYS158CD322[C], 1[N],
LYS158CE523[C], 1[N], 1[O],
VAL160CG1121[S],
VAL160CG2121[S],
GLN180CD321[N], 2[C],
GLN180OE1321[N], 2[C],
GLN180NE2722[N], 1[O], 4[C],
GLN224CD825[C], 2[N], 1[O],
GLN224NE21423[O], 4[N], 7[C],
GLN224CG825[C], 3[N],
HIS226ND11427[C], 2[O], 5[N],
HIS226CD21422[O], 5[N], 7[C],
HIS226CE11527[C], 3[O], 5[N],
HIS226CG1327[C], 5[N], 1[O],
HIS226NE21525[N], 3[O], 7[C],
LYS227CE724[C], 2[N], 1[O],
LYS227CD221[O], 1[C],
LYS227CG622[N], 1[O], 3[C],
LYS227NZ221[N], 1[O],
LEU229CD1121[N],
ASN231CG121[N],
ASN231ND2121[N],
ASP232OD2121[N],
ASP232CG522[C], 2[N], 1[O],
ASP232OD1421[C], 2[N], 1[O],
Total = 102



Download csv file of statistical distribution of contacts