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 :C4_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 C4_S1
Complex: GSU_A_2(3AFH) / Model_4(3AFH/A) = [6.7] Download1042.3720.59MTKVRVRYAPSPTGHLHIGNARTALFNYLFARHNDGDFIIRIEDTDQKRNIEDGEKSQLENLAWLGMNWDESPENPGEYGPYRQSERKEIYQPLIDQLLASNRAYKCYCTEEELEAEREAQRARGEMPHYAGTCANLTPEEQAEKEAQGLESVVRFRVPRNTEYAFTDMVKGAISFESDNIGGDFVIQKRDGMPTYNFAVAVDDHLMKITHVLRGDDHIANTPKQLMIYEAFGWTPPTFGHMTLIINSETGKKLSKRDESILQFIEQYRELGYLPDAMFNFIALLGWSPVGEDEIFEHQELIKMFDPKRLSKSPAAFDAKKLQWVNNHYIKAMDLDAFTDMCLPYLIADGRVAENPDEKTIEWVKKIVSLYQPQMSYAAEIVDLSTLFFNEHPVLNEAAKEVLAGETVPTVLHAFKAQLEQMEVVDAPTVKAAIKAVQKETGVKGKNLFMPIRVAVSGQMHGPELPETIELLGREKSLAHLNQVLN
Complex: GLU_A_4(4GRI) / Model_6(4GRI/A) = [3.4] Download19929.4631.69MTKVRVRYAPSPTGHLHIGNARTALFNYLFARHNDGDFIIRIEDTDQKRNIEDGEKSQLENLAWLGMNWDESPENPGEYGPYRQSERKEIYQPLIDQLLASNRAYKCYCTEEELEAEREAQRARGEMPHYAGTCANLTPEEQAEKEAQGLESVVRFRVPRNTEYAFTDMVKGAISFESDNIGGDFVIQKRDGMPTYNFAVAVDDHLMKITHVLRGDDHIANTPKQLMIYEAFGWTPPTFGHMTLIINSETGKKLSKRDESILQFIEQYRELGYLPDAMFNFIALLGWSPVGEDEIFEHQELIKMFDPKRLSKSPAAFDAKKLQWVNNHYIKAMDLDAFTDMCLPYLIADGRVAENPDEKTIEWVKKIVSLYQPQMSYAAEIVDLSTLFFNEHPVLNEAAKEVLAGETVPTVLHAFKAQLEQMEVVDAPTVKAAIKAVQKETGVKGKNLFMPIRVAVSGQMHGPELPETIELLGREKSLAHLNQVLN
Consensus
[pKd Mean = 5.05]		-10485
(s=9443)		26
(s=5)		MTKVRVRYAPSPTGHLHIGNARTALFNYLFARHNDGDFIIRIEDTDQKRNIEDGEKSQLENLAWLGMNWDESPENPGEYGPYRQSERKEIYQPLIDQLLASNRAYKCYCTEEELEAEREAQRARGEMPHYAGTCANLTPEEQAEKEAQGLESVVRFRVPRNTEYAFTDMVKGAISFESDNIGGDFVIQKRDGMPTYNFAVAVDDHLMKITHVLRGDDHIANTPKQLMIYEAFGWTPPTFGHMTLIINSETGKKLSKRDESILQFIEQYRELGYLPDAMFNFIALLGWSPVGEDEIFEHQELIKMFDPKRLSKSPAAFDAKKLQWVNNHYIKAMDLDAFTDMCLPYLIADGRVAENPDEKTIEWVKKIVSLYQPQMSYAAEIVDLSTLFFNEHPVLNEAAKEVLAGETVPTVLHAFKAQLEQMEVVDAPTVKAAIKAVQKETGVKGKNLFMPIRVAVSGQMHGPELPETIELLGREKSLAHLNQVLN



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]
ARG7NE1026[C], 4[O],
ARG7CG1024[O], 6[C],
ARG7CZ1826[O], 2[N], 10[C],
ARG7CD1026[C], 4[O],
TYR8CE12529[O], 3[N], 12[C], 1[S],
TYR8CE21124[O], 1[S], 5[C], 1[N],
TYR8CD12021[S], 9[C], 2[N], 8[O],
TYR8CD2924[O], 1[S], 3[C], 1[N],
TYR8CZ2021[S], 2[N], 10[C], 7[O],
TYR8CG1327[O], 1[N], 5[C],
PRO10CD2621[S], 3[N], 12[C], 10[O],
PRO10CG1926[O], 9[C], 3[N], 1[S],
SER11OG2423[N], 13[C], 1[S], 7[O],
PRO12CG121[O],
PRO12CD722[O], 1[C], 3[N], 1[S],
THR13OG1922[C], 2[N], 1[S], 4[O],
THR13CG2623[O], 1[S], 2[N],
LEU16CG322[O], 1[C],
LEU16CD1723[O], 1[S], 3[C],
HIS17CD21125[C], 5[N], 1[O],
HIS17ND11526[C], 5[N], 4[O],
HIS17NE21322[O], 6[C], 5[N],
HIS17CE11527[C], 5[N], 3[O],
HIS17CG1422[O], 5[N], 7[C],
ILE18CG2724[C], 3[N],
ASN20CG3021[S], 14[C], 6[N], 9[O],
ASN20OD13528[N], 17[C], 1[S], 9[O],
ASN20ND22929[O], 1[S], 6[N], 13[C],
ARG22NE321[C], 2[N],
ARG22CD523[C], 2[N],
ARG22CZ321[C], 2[N],
ARG22CG422[C], 2[N],
THR23CG22528[O], 2[N], 15[C],
THR23OG12226[O], 5[N], 11[C],
ASN27CG121[O],
ASN27ND2522[C], 3[O],
ARG41NE1327[C], 2[N], 4[O],
ARG41CZ1324[O], 7[C], 2[N],
ARG41CG121[N],
GLU43OE22027[O], 10[C], 3[N],
GLU43CG2228[O], 1[S], 10[C], 3[N],
GLU43OE126210[O], 12[C], 3[N], 1[S],
GLU43CD2221[S], 3[N], 10[C], 8[O],
THR45OG1121[N],
ASN50OD1221[N], 1[O],
GLN58OE1421[N], 1[C], 1[S], 1[O],
GLN58NE2724[O], 1[S], 1[C], 1[N],
GLN58CD522[O], 1[C], 1[N], 1[S],
GLN58CG121[O],
GLN84CD523[C], 2[N],
GLN84OE1725[C], 2[N],
GLN84CG222[N],
GLN84NE2721[O], 4[C], 2[N],
TYR196CG1327[C], 2[N], 4[O],
TYR196CD21226[C], 2[N], 4[O],
TYR196CD11224[O], 2[N], 6[C],
TYR196CE11226[C], 2[N], 4[O],
TYR196CE21122[N], 5[C], 4[O],
TYR196CZ1124[O], 5[C], 2[N],
ASN197ND2321[O], 2[C],
VAL200CG217210[C], 2[N], 5[O],
VAL200CG11424[O], 2[N], 8[C],
ASP204CG723[C], 4[O],
ASP204OD1724[O], 3[C],
ASP204OD2925[C], 4[O],
VAL212CG2622[C], 4[O],
VAL212CG11126[C], 5[O],
ARG214CG2329[O], 14[C],
ARG214CZ1125[O], 6[C],
ARG214NE1627[O], 9[C],
ARG214CD2228[O], 14[C],
ASP216OD2121[C],
ASP216OD1121[O],
ASP216CG321[O], 1[C], 1[N],
ASP217OD12921[S], 15[C], 6[N], 7[O],
ASP217CG2721[S], 14[C], 6[N], 6[O],
ASP217OD23021[S], 7[N], 15[C], 7[O],
HIS218CD238213[O], 6[N], 18[C], 1[S],
HIS218CE134213[O], 4[N], 16[C], 1[S],
HIS218NE236217[C], 5[N], 1[S], 13[O],
HIS218ND12921[S], 14[C], 3[N], 11[O],
HIS218CG33212[O], 1[S], 16[C], 4[N],
ASN221OD1622[O], 4[C],
ASN221ND2524[C], 1[O],
ASN221CG322[O], 1[C],
THR222OG1121[O],
GLN225CD724[C], 3[O],
GLN225CG222[O],
GLN225OE1824[C], 4[O],
GLN225NE2924[O], 5[C],
PHE239CD2121[O],
PHE239CZ121[O],
PHE239CD1121[O],
PHE239CE2121[O],
PHE239CE1221[C], 1[O],
HIS241CE1222[O],
HIS241NE2722[C], 5[O],
HIS241CG121[O],
HIS241CD2826[O], 2[C],
MET242CE1123[O], 2[N], 6[C],
MET242SD421[N], 2[C], 1[O],
MET242CG221[N], 1[C],
THR243OG1221[N], 1[C],
LEU244CG1325[N], 7[C], 1[O],
LEU244CD21723[O], 5[N], 9[C],
LEU244CD11327[C], 5[N], 1[O],
ILE245CG1924[C], 5[N],
ILE245CD1924[C], 5[N],
ILE245CG2723[N], 4[C],
ILE246CG2422[N], 2[C],
LYS253CD1427[C], 5[N], 2[O],
LYS253NZ1621[S], 7[C], 5[N], 3[O],
LYS253CG1025[C], 5[N],
LYS253CE1025[N], 5[C],
LEU254CD2321[C], 2[N],
LEU254CG321[C], 2[N],
LEU254CD1121[N],
SER255OG121[N],
ILE261CG2121[N],
Total = 119



Download csv file of statistical distribution of contacts