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 :C6_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 C6_S1
Complex: PBG_A_2(5MHB) / Model_16(5MHB/A) = [7.0] Download327.7127.21MGLQYSSRLTVMEYPPTYPSVIPNIEIVMTYTFNRPAFPATRMRRIRKNDQLRAMVSETQLTTNHLIYPVFVLPGQNQTQDIPSMPNIQRLSADLLLKKAERLLELGVSKLALFPVTPQEDKSLTAEAAWREDGLVQTTCRLLKKELPEMVLITDGALDPYTTHGQDGIIDETGYVLNDETVECLIKQALSHAEAGAEVIAPSDMMDGRIGAIRQALEANGHIYTNIMAYSAKYASSFYGPFRDAVGSASNLKGGNKYNYQMDFANRAEALHEIALDIQEGADMVIVKPGMPYLDVVREVKDTFGIPTFIYQVSGEYAMLAGAIQNGWLSDSVILESLMCCRRAGADGIWTYFAETAAEKLKEMN
Complex: KAH_A_2(1H7P) / Model_58(1H7P/A) = [3.5] Download261.2530.82MGLQYSSRLTVMEYPPTYPSVIPNIEIVMTYTFNRPAFPATRMRRIRKNDQLRAMVSETQLTTNHLIYPVFVLPGQNQTQDIPSMPNIQRLSADLLLKKAERLLELGVSKLALFPVTPQEDKSLTAEAAWREDGLVQTTCRLLKKELPEMVLITDGALDPYTTHGQDGIIDETGYVLNDETVECLIKQALSHAEAGAEVIAPSDMMDGRIGAIRQALEANGHIYTNIMAYSAKYASSFYGPFRDAVGSASNLKGGNKYNYQMDFANRAEALHEIALDIQEGADMVIVKPGMPYLDVVREVKDTFGIPTFIYQVSGEYAMLAGAIQNGWLSDSVILESLMCCRRAGADGIWTYFAETAAEKLKEMN
Consensus
[pKd Mean = 5.25]		-294
(s=33)		29
(s=1)		MGLQYSSRLTVMEYPPTYPSVIPNIEIVMTYTFNRPAFPATRMRRIRKNDQLRAMVSETQLTTNHLIYPVFVLPGQNQTQDIPSMPNIQRLSADLLLKKAERLLELGVSKLALFPVTPQEDKSLTAEAAWREDGLVQTTCRLLKKELPEMVLITDGALDPYTTHGQDGIIDETGYVLNDETVECLIKQALSHAEAGAEVIAPSDMMDGRIGAIRQALEANGHIYTNIMAYSAKYASSFYGPFRDAVGSASNLKGGNKYNYQMDFANRAEALHEIALDIQEGADMVIVKPGMPYLDVVREVKDTFGIPTFIYQVSGEYAMLAGAIQNGWLSDSVILESLMCCRRAGADGIWTYFAETAAEKLKEMN



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]
PRO69CG624[C], 2[O],
PRO69CD222[O],
PHE71CE21123[O], 1[N], 7[C],
PHE71CE11123[O], 7[C], 1[N],
PHE71CD1222[O],
PHE71CD2321[C], 2[O],
PHE71CZ1228[C], 1[N], 3[O],
MET85SD724[C], 3[O],
MET85CG523[O], 2[C],
MET85CE825[C], 3[O],
PHE114CE21924[O], 2[N], 13[C],
PHE114CZ2124[O], 3[N], 14[C],
PHE114CD11922[O], 3[N], 14[C],
PHE114CG1823[N], 13[C], 2[O],
PHE114CD21822[N], 13[C], 3[O],
PHE114CE12124[O], 14[C], 3[N],
ASP155OD21622[O], 11[C], 3[N],
ASP155CG1621[O], 3[N], 12[C],
ASP155OD11622[O], 3[N], 11[C],
ASP159OD21723[O], 3[N], 11[C],
ASP159OD11523[O], 9[C], 3[N],
ASP159CG1723[N], 11[C], 3[O],
PRO160CG422[C], 2[N],
PRO160CD523[C], 2[N],
ASP167CG1322[N], 8[C], 3[O],
ASP167OD21529[C], 3[N], 3[O],
ASP167OD11428[C], 3[N], 3[O],
SER203OG1722[O], 12[C], 3[N],
ASP204CG121[N],
ASP204OD1321[C], 2[N],
ASP204OD2121[N],
MET205SD121[O],
MET205CG321[O], 1[C], 1[N],
TYR230CD11023[N], 6[C], 1[O],
TYR230CZ1623[N], 12[C], 1[O],
TYR230CE21922[O], 14[C], 3[N],
TYR230CG1221[O], 3[N], 8[C],
TYR230CD216211[C], 3[N], 2[O],
TYR230CE11329[C], 3[N], 1[O],
LYS233NZ2224[O], 3[N], 15[C],
LYS233CD19213[C], 3[N], 3[O],
LYS233CE20214[C], 3[N], 3[O],
LYS233CG1823[O], 12[C], 3[N],
SER236OG121[O],
PHE238CG121[O],
TYR239CD12326[O], 15[C], 2[N],
TYR239CE12326[O], 15[C], 2[N],
TYR239CE22423[N], 15[C], 6[O],
TYR239CD22326[O], 15[C], 2[N],
TYR239CZ2426[O], 3[N], 15[C],
TYR239CG2322[N], 15[C], 6[O],
PRO241CD522[C], 3[O],
PRO241CG522[C], 3[O],
PHE242CE12426[O], 3[N], 15[C],
PHE242CZ2426[O], 3[N], 15[C],
PHE242CE22423[N], 15[C], 6[O],
PHE242CD12426[O], 15[C], 3[N],
PHE242CD22423[N], 15[C], 6[O],
PHE242CG24215[C], 3[N], 6[O],
ARG243CD823[O], 5[C],
ARG243NE1223[O], 9[C],
ARG243CG624[C], 2[O],
ARG243CZ1429[C], 2[N], 3[O],
VAL246CG22224[O], 3[N], 15[C],
VAL246CG119214[C], 2[N], 3[O],
SER248OG1222[O], 2[N], 8[C],
LEU252CD2221[O], 1[C],
ASN256OD1522[O], 2[C], 1[N],
ASN256CG724[C], 1[N], 2[O],
ASN256ND2821[N], 5[C], 2[O],
LYS257NZ524[C], 1[O],
LYS257CE423[C], 1[O],
LYS257CD221[O], 1[C],
TYR260CZ222[O],
TYR260CD2321[N], 2[O],
TYR260CE2422[O], 1[N], 1[C],
GLN261OE11423[O], 9[C], 2[N],
GLN261CG823[O], 4[C], 1[N],
GLN261CD1323[O], 8[C], 2[N],
GLN261NE21222[N], 7[C], 3[O],
ILE286CD1121[N],
ILE286CG2121[N],
LYS288CE2423[N], 15[C], 6[O],
LYS288CD2423[N], 15[C], 6[O],
LYS288NZ24215[C], 3[N], 6[O],
LYS288CG22215[C], 2[N], 5[O],
PRO289CD222[O],
PRO289CG624[C], 2[O],
TYR311CD21822[N], 12[C], 4[O],
TYR311CD11824[O], 12[C], 2[N],
TYR311CE11924[O], 2[N], 13[C],
TYR311CZ1924[O], 13[C], 2[N],
TYR311CG16210[C], 2[N], 4[O],
TYR311CE21924[O], 2[N], 13[C],
VAL313CG21224[O], 8[C],
VAL313CG12025[O], 2[N], 13[C],
SER314OG16212[C], 4[O],
GLU316OE1221[C], 1[O],
GLU316OE2321[C], 2[O],
TYR317CD1121[O],
TYR317CG222[O],
TRP350CD2121[N],
TRP350CE31221[O], 2[N], 9[C],
TRP350CZ3922[N], 7[C],
TYR352CD2724[C], 3[O],
TYR352CZ1223[O], 9[C],
TYR352CE21128[C], 3[O],
TYR352CG723[O], 4[C],
TYR352CE1926[C], 3[O],
TYR352CD1723[O], 4[C],
Total = 110



Download csv file of statistical distribution of contacts