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: GSU_A_2(3AFH) / Model_4(3AFH/A) = [6.9] Download956.1321.66MSKDIRVRYAPSPTGLLHIGNARTALFNYLYARHHGGTFLIRIEDTDRKRHVEDGERSQLENLRWLGMDWDESPESHENYRQSERLDLYQKYIDQLLAEGKAYKSYVTEEELAAERERQEVAGETPRYINEYLGMSEEEKAAYIAEREAAGIIPTVRLAVNESGIYKWHDMVKGDIEFEGGNIGGDWIIQKKDGYPTYNFAVAIDDHDMQISHVIRGDDHIANTPKQLMVYEALGWEAPEFGHMTLIINSETGKKLSKRDTNTLQFIEDYRKKGYLPEAVFNFIALLGWNPGGEDEIFSREELIKLFDENRLSKSPAAFDQKKLDWMSNDYIKNADLETIFEMAKPFLEEAGRLTDKAEKLVELYKPQMKSVDEIIPLTDLFFSDFPELTEAEREVMTGETVPTVLEAFKAKLEAMTDDKFVTENIFPQIKAVQKETGIKGKNLFMPIRIAVSGEMHGPELPDTIFLLGREKSIQHIENMLKEISK
Complex: GLU_A_4(4GRI) / Model_6(4GRI/A) = [3.5] Download22829.8628.79MSKDIRVRYAPSPTGLLHIGNARTALFNYLYARHHGGTFLIRIEDTDRKRHVEDGERSQLENLRWLGMDWDESPESHENYRQSERLDLYQKYIDQLLAEGKAYKSYVTEEELAAERERQEVAGETPRYINEYLGMSEEEKAAYIAEREAAGIIPTVRLAVNESGIYKWHDMVKGDIEFEGGNIGGDWIIQKKDGYPTYNFAVAIDDHDMQISHVIRGDDHIANTPKQLMVYEALGWEAPEFGHMTLIINSETGKKLSKRDTNTLQFIEDYRKKGYLPEAVFNFIALLGWNPGGEDEIFSREELIKLFDENRLSKSPAAFDQKKLDWMSNDYIKNADLETIFEMAKPFLEEAGRLTDKAEKLVELYKPQMKSVDEIIPLTDLFFSDFPELTEAEREVMTGETVPTVLEAFKAKLEAMTDDKFVTENIFPQIKAVQKETGIKGKNLFMPIRIAVSGEMHGPELPDTIFLLGREKSIQHIENMLKEISK
Consensus
[pKd Mean = 5.20]		-11892
(s=10936)		25
(s=3)		MSKDIRVRYAPSPTGLLHIGNARTALFNYLYARHHGGTFLIRIEDTDRKRHVEDGERSQLENLRWLGMDWDESPESHENYRQSERLDLYQKYIDQLLAEGKAYKSYVTEEELAAERERQEVAGETPRYINEYLGMSEEEKAAYIAEREAAGIIPTVRLAVNESGIYKWHDMVKGDIEFEGGNIGGDWIIQKKDGYPTYNFAVAIDDHDMQISHVIRGDDHIANTPKQLMVYEALGWEAPEFGHMTLIINSETGKKLSKRDTNTLQFIEDYRKKGYLPEAVFNFIALLGWNPGGEDEIFSREELIKLFDENRLSKSPAAFDQKKLDWMSNDYIKNADLETIFEMAKPFLEEAGRLTDKAEKLVELYKPQMKSVDEIIPLTDLFFSDFPELTEAEREVMTGETVPTVLEAFKAKLEAMTDDKFVTENIFPQIKAVQKETGIKGKNLFMPIRIAVSGEMHGPELPDTIFLLGREKSIQHIENMLKEISK



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]
ARG8CZ1822[N], 10[C], 6[O],
ARG8NE1026[C], 4[O],
ARG8CD1024[O], 6[C],
ARG8CG1024[O], 6[C],
TYR9CE21121[S], 1[N], 5[C], 4[O],
TYR9CD12022[N], 8[O], 9[C], 1[S],
TYR9CD2923[C], 4[O], 1[N], 1[S],
TYR9CE12529[O], 12[C], 3[N], 1[S],
TYR9CG1325[C], 7[O], 1[N],
TYR9CZ2021[S], 2[N], 10[C], 7[O],
PRO11CD2621[S], 3[N], 12[C], 10[O],
PRO11CG1929[C], 6[O], 3[N], 1[S],
SER12OG24213[C], 7[O], 3[N], 1[S],
PRO13CG121[O],
PRO13CD722[O], 1[C], 3[N], 1[S],
THR14OG1921[S], 4[O], 2[C], 2[N],
THR14CG2621[S], 3[O], 2[N],
LEU17CG322[O], 1[C],
LEU17CD1721[S], 3[C], 3[O],
HIS18CG1425[N], 2[O], 7[C],
HIS18CD21125[N], 5[C], 1[O],
HIS18NE21325[N], 2[O], 6[C],
HIS18CE11525[N], 3[O], 7[C],
HIS18ND11524[O], 6[C], 5[N],
ILE19CG2724[C], 3[N],
ASN21ND229213[C], 9[O], 6[N], 1[S],
ASN21OD13528[N], 9[O], 17[C], 1[S],
ASN21CG3026[N], 9[O], 14[C], 1[S],
ARG23CG422[N], 2[C],
ARG23CZ321[C], 2[N],
ARG23NE322[N], 1[C],
ARG23CD523[C], 2[N],
THR24OG12225[N], 6[O], 11[C],
THR24CG22522[N], 8[O], 15[C],
ASN28ND2523[O], 2[C],
ASN28CG121[O],
ARG42CZ1322[N], 7[C], 4[O],
ARG42NE1324[O], 7[C], 2[N],
ARG42CG121[N],
GLU44OE22027[O], 10[C], 3[N],
GLU44CD2221[S], 8[O], 10[C], 3[N],
GLU44CG22210[C], 8[O], 3[N], 1[S],
GLU44OE12623[N], 12[C], 10[O], 1[S],
THR46OG1121[N],
HIS51CE1722[N], 2[C], 2[O], 1[S],
HIS51ND1221[O], 1[N],
HIS51NE2321[O], 2[N],
GLN59NE2721[S], 1[N], 1[C], 4[O],
GLN59OE1421[O], 1[C], 1[N], 1[S],
GLN59CG121[O],
GLN59CD521[S], 2[O], 1[C], 1[N],
GLN82OE1725[C], 2[N],
GLN82CG222[N],
GLN82CD523[C], 2[N],
GLN82NE2721[O], 4[C], 2[N],
TYR198CD11222[N], 4[O], 6[C],
TYR198CZ1122[N], 5[C], 4[O],
TYR198CD21222[N], 6[C], 4[O],
TYR198CE11222[N], 6[C], 4[O],
TYR198CG1324[O], 7[C], 2[N],
TYR198CE21125[C], 4[O], 2[N],
ASN199ND2321[O], 2[C],
VAL202CG217210[C], 5[O], 2[N],
VAL202CG11422[N], 4[O], 8[C],
ASP206OD2925[C], 4[O],
ASP206OD1723[C], 4[O],
ASP206CG724[O], 3[C],
VAL214CG11125[O], 6[C],
VAL214CG2624[O], 2[C],
ILE215CG2121[O],
ARG216CZ1126[C], 5[O],
ARG216CG2329[O], 14[C],
ARG216CD2228[O], 14[C],
ARG216NE1629[C], 7[O],
ASP218CG321[N], 1[O], 1[C],
ASP218OD1121[O],
ASP218OD2121[C],
ASP219OD12927[O], 15[C], 6[N], 1[S],
ASP219OD23027[N], 15[C], 7[O], 1[S],
ASP219CG2726[N], 6[O], 14[C], 1[S],
HIS220NE23621[S], 5[N], 17[C], 13[O],
HIS220CE13424[N], 13[O], 16[C], 1[S],
HIS220CD23826[N], 13[O], 18[C], 1[S],
HIS220CG3321[S], 16[C], 12[O], 4[N],
HIS220ND12921[S], 3[N], 14[C], 11[O],
ASN223OD1622[O], 4[C],
ASN223ND2524[C], 1[O],
ASN223CG321[C], 2[O],
THR224OG1121[O],
GLN227CG222[O],
GLN227NE2924[O], 5[C],
GLN227OE1824[O], 4[C],
GLN227CD723[O], 4[C],
PHE241CE1221[O], 1[C],
PHE241CD1121[O],
PHE241CD2121[O],
PHE241CZ121[O],
PHE241CE2121[O],
HIS243NE2725[O], 2[C],
HIS243CD2826[O], 2[C],
HIS243CE1222[O],
HIS243CG121[O],
MET244CG522[N], 3[C],
MET244CE1725[N], 9[C], 3[O],
MET244SD523[C], 2[N],
THR245OG1221[N], 1[C],
LEU246CG1321[O], 7[C], 5[N],
LEU246CD21725[N], 9[C], 3[O],
LEU246CD11325[N], 7[C], 1[O],
ILE247CD1925[N], 4[C],
ILE247CG1925[N], 4[C],
ILE247CG2724[C], 3[N],
ILE248CG2422[C], 2[N],
LYS255CG1025[C], 5[N],
LYS255CD1422[O], 7[C], 5[N],
LYS255CE1025[C], 5[N],
LYS255NZ1623[O], 7[C], 5[N], 1[S],
LEU256CG321[C], 2[N],
LEU256CD1121[N],
LEU256CD2322[N], 1[C],
SER257OG121[N],
THR263CG2121[N],
Total = 122



Download csv file of statistical distribution of contacts