Binding Site Information :
Doc...
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 :C3_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 C3_S1
Complex: 1CZ_A_3(4I56) / Model_8(4I56/A) = [7.4] Download1976.6324.39MKISWNGFSKKSYQERLELLKAQALLSPERQASLEKDEQMSVTVADQLSENVVGTFSLPYSLVPEVLVNGQEYTVPYVTEEPSVVAAASYASKIIKRAGGFTAQVHQRQMIGQVALYQVANPKLAQEKIASKKAELLELANQAYPSIVKRGGGARDLHVEQIKGEPDFLVVYIHVDTQEAMGANMLNTMLEALKPVLEELSQGQSLMGILSNYATDSLVTASCRIAFRYLSRQKDQGREIAEKIALASQFAQADPYRAATHNKGIFNGIDAILIATGNDWRAIEAGAHAFASRDGRYQGLSCWTLDLEREELVGEMTLPMPVATKGGSIGLNPRVALSHDLLGNPSARELAQIIVSIGLAQNFAALKALVSTGIQQGHMKLQAKSLALLAGASESEVAPLVERLISDKTFNLETAQRYLENLRS
Complex: HMG_A_3(4I6A) / Model_10(4I6A/A) = [6.5] Download2435.4724.54MKISWNGFSKKSYQERLELLKAQALLSPERQASLEKDEQMSVTVADQLSENVVGTFSLPYSLVPEVLVNGQEYTVPYVTEEPSVVAAASYASKIIKRAGGFTAQVHQRQMIGQVALYQVANPKLAQEKIASKKAELLELANQAYPSIVKRGGGARDLHVEQIKGEPDFLVVYIHVDTQEAMGANMLNTMLEALKPVLEELSQGQSLMGILSNYATDSLVTASCRIAFRYLSRQKDQGREIAEKIALASQFAQADPYRAATHNKGIFNGIDAILIATGNDWRAIEAGAHAFASRDGRYQGLSCWTLDLEREELVGEMTLPMPVATKGGSIGLNPRVALSHDLLGNPSARELAQIIVSIGLAQNFAALKALVSTGIQQGHMKLQAKSLALLAGASESEVAPLVERLISDKTFNLETAQRYLENLRS
Consensus
[pKd Mean = 6.95]		-2206
(s=229)		24
(s=0)		MKISWNGFSKKSYQERLELLKAQALLSPERQASLEKDEQMSVTVADQLSENVVGTFSLPYSLVPEVLVNGQEYTVPYVTEEPSVVAAASYASKIIKRAGGFTAQVHQRQMIGQVALYQVANPKLAQEKIASKKAELLELANQAYPSIVKRGGGARDLHVEQIKGEPDFLVVYIHVDTQEAMGANMLNTMLEALKPVLEELSQGQSLMGILSNYATDSLVTASCRIAFRYLSRQKDQGREIAEKIALASQFAQADPYRAATHNKGIFNGIDAILIATGNDWRAIEAGAHAFASRDGRYQGLSCWTLDLEREELVGEMTLPMPVATKGGSIGLNPRVALSHDLLGNPSARELAQIIVSIGLAQNFAALKALVSTGIQQGHMKLQAKSLALLAGASESEVAPLVERLISDKTFNLETAQRYLENLRS



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]
PHE8CG721[O], 4[N], 2[C],
PHE8CD2624[N], 2[C],
PHE8CE2222[C],
SER9OG46218[C], 10[N], 16[O], 2[P],
LYS10CG1124[N], 5[C], 2[O],
LYS10NZ121[O],
LYS10CE724[O], 2[N], 1[C],
LYS10CD221[O], 1[N],
ARG16CZ824[N], 4[C],
ARG16NE522[N], 3[C],
ARG16CD322[C], 1[N],
VAL63CG1522[O], 2[N], 1[C],
PRO64CG3426[N], 17[C], 9[O], 2[P],
PRO64CD2726[N], 15[C], 6[O],
GLU65CG21210[O], 2[P], 8[C], 1[N],
GLU65OE11222[P], 7[O], 3[C],
GLU65OE21726[C], 9[O], 2[P],
GLU65CD1727[C], 2[P], 8[O],
GLU81CG1622[N], 3[S], 8[C], 3[O],
GLU81OE11823[O], 2[N], 3[S], 10[C],
GLU81OE22725[O], 17[C], 3[S], 2[N],
GLU81CD2425[O], 14[C], 2[N], 3[S],
PRO82CG521[O], 3[C], 1[S],
PRO82CD222[C],
SER83OG4328[N], 2[S], 25[C], 8[O],
VAL84CG11221[O], 6[C], 3[S], 2[N],
VAL84CG21823[O], 10[C], 2[N], 3[S],
VAL85CG11528[C], 7[N],
VAL85CG2523[N], 2[C],
SER89OG3327[O], 18[C], 8[N],
TYR90CD266230[C], 6[N], 25[O], 5[P],
TYR90CE157222[C], 2[N], 6[P], 27[O],
TYR90CG73229[O], 6[P], 8[N], 30[C],
TYR90CD163224[C], 5[N], 28[O], 6[P],
TYR90CZ54225[O], 5[P], 22[C], 2[N],
TYR90CE261225[O], 4[P], 26[C], 6[N],
LYS93CG25210[C], 2[P], 13[O],
LYS93CD3122[N], 10[C], 16[O], 3[P],
LYS93NZ30216[O], 3[P], 10[C], 1[N],
LYS93CE27210[C], 2[P], 15[O],
ILE94CD1222[C],
ILE94CG1323[C],
ARG232NE521[P], 4[O],
ARG232CZ2023[P], 12[O], 5[C],
ARG232CD222[O],
ARG257CD1024[C], 6[O],
ARG257NE1426[O], 8[C],
ARG257CG624[O], 2[C],
ARG257CZ1626[O], 10[C],
THR260CG22021[S], 12[C], 7[O],
THR260OG11327[C], 6[O],
HIS261ND1824[O], 4[C],
HIS261CE1624[O], 2[C],
HIS261NE2422[C], 2[O],
HIS261CG824[C], 4[O],
HIS261CD2824[O], 4[C],
LYS263CE2123[S], 14[C], 4[O],
LYS263NZ2123[S], 15[C], 3[O],
LYS263CG1827[O], 10[C], 1[S],
LYS263CD2427[O], 3[S], 14[C],
ILE265CG1321[C], 2[O],
ASN267CG2323[O], 15[C], 3[S], 2[N],
ASN267ND23229[O], 18[C], 3[S], 2[N],
ASN267OD11823[O], 12[C], 3[S],
GLN361CG26218[C], 3[S], 2[N], 3[O],
GLN361NE217211[C], 2[N], 3[S], 1[O],
GLN361OE13725[O], 3[S], 4[N], 25[C],
GLN361CD2723[O], 3[N], 3[S], 18[C],
ASN362ND21321[S], 7[C], 5[O],
ASN362OD1222[O],
ASN362CG721[S], 4[C], 2[O],
PHE363CD2121[O],
LEU366CD1322[O], 1[C],
LEU366CG623[O], 3[C],
LEU366CD2824[C], 4[O],
LYS367CD1223[O], 7[C], 2[N],
LYS367NZ1327[O], 1[P], 5[C],
LYS367CE724[O], 3[C],
LYS367CG925[C], 2[N], 2[O],
LEU369CD12527[O], 1[N], 2[S], 15[C],
LEU369CD221215[C], 6[O],
LEU369CG2627[O], 1[N], 18[C],
SER371OG221[C], 1[O],
THR372CG2121[O],
THR372OG1722[O], 4[C], 1[N],
ILE374CG12126[O], 12[C], 2[N], 1[S],
ILE374CG21223[O], 7[C], 1[N], 1[S],
ILE374CD12421[S], 2[N], 14[C], 7[O],
GLN375OE1221[C], 1[O],
Total = 89



Download csv file of statistical distribution of contacts