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 :C1_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 C1_S1
Complex: NDP_A_3(1Z82) / Model_2(1Z82/A) = [11.5] Download1668.1517.67MNYRVAVLGPGSWGTALAQVLAENGHDVRIWGHRASQVEEINTQHTNQRYLPDHCLPDSIQAFTNMEDAVKDADAVLFVIPTKAIRSVAKELVPKLNTKPVIIHASKGLEQGTHKRISDILLEEIPVEKRKAVVVLSGPSHAEEVAKHDITTITAASTDAKAAKYVQELFMNNYFRIYTNPDVIGVEMGAALKNIIAIGAGAIHGLGFGDNAKAAIMTRGLAEISRLGVAMGANPLTFIGLSGVGDLVVTCTSVHSRNWRAGNLLGQGQPLEEVLANMGMVVEGVNTTQAAMELAQIMEIEMPITQTIYEVLYEQKEIKTAAKEIMLRDGKKENEFSLTIF
Complex: G3P_B_6(1Z82) / Model_2(1Z82/A) = [4.7] Download400.293.67MNYRVAVLGPGSWGTALAQVLAENGHDVRIWGHRASQVEEINTQHTNQRYLPDHCLPDSIQAFTNMEDAVKDADAVLFVIPTKAIRSVAKELVPKLNTKPVIIHASKGLEQGTHKRISDILLEEIPVEKRKAVVVLSGPSHAEEVAKHDITTITAASTDAKAAKYVQELFMNNYFRIYTNPDVIGVEMGAALKNIIAIGAGAIHGLGFGDNAKAAIMTRGLAEISRLGVAMGANPLTFIGLSGVGDLVVTCTSVHSRNWRAGNLLGQGQPLEEVLANMGMVVEGVNTTQAAMELAQIMEIEMPITQTIYEVLYEQKEIKTAAKEIMLRDGKKENEFSLTIF
Consensus
[pKd Mean = 8.10]		-1034
(s=633)		10
(s=7)		MNYRVAVLGPGSWGTALAQVLAENGHDVRIWGHRASQVEEINTQHTNQRYLPDHCLPDSIQAFTNMEDAVKDADAVLFVIPTKAIRSVAKELVPKLNTKPVIIHASKGLEQGTHKRISDILLEEIPVEKRKAVVVLSGPSHAEEVAKHDITTITAASTDAKAAKYVQELFMNNYFRIYTNPDVIGVEMGAALKNIIAIGAGAIHGLGFGDNAKAAIMTRGLAEISRLGVAMGANPLTFIGLSGVGDLVVTCTSVHSRNWRAGNLLGQGQPLEEVLANMGMVVEGVNTTQAAMELAQIMEIEMPITQTIYEVLYEQKEIKTAAKEIMLRDGKKENEFSLTIF



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]
PRO10CD1822[N], 7[C], 8[O], 1[P],
PRO10CG1326[O], 1[P], 1[N], 5[C],
SER12OG2128[C], 2[N], 2[P], 9[O],
TRP13CG27214[C], 2[N], 1[P], 10[O],
TRP13CZ3921[O], 6[C], 2[N],
TRP13CD22226[O], 1[P], 13[C], 2[N],
TRP13CD12722[N], 14[C], 10[O], 1[P],
TRP13CE22121[P], 6[O], 2[N], 12[C],
TRP13NE12629[O], 1[P], 14[C], 2[N],
TRP13CZ21322[N], 8[C], 3[O],
TRP13CE31424[O], 1[P], 7[C], 2[N],
THR15OG1421[C], 3[O],
TRP31CZ31025[C], 2[N], 3[O],
TRP31CE2121[C],
TRP31CD2121[C],
TRP31CE3421[O], 1[C], 2[N],
TRP31CZ2221[N], 1[C],
HIS33CE11627[C], 5[N], 1[P], 3[O],
HIS33CG2028[C], 5[N], 1[P], 6[O],
HIS33NE21725[N], 7[C], 4[O], 1[P],
HIS33ND11727[C], 5[N], 1[P], 4[O],
HIS33CD21925[N], 8[C], 5[O], 1[P],
ARG34NE1225[O], 1[P], 2[N], 4[C],
ARG34CD624[O], 1[P], 1[C],
ARG34CG821[P], 4[O], 2[C], 1[N],
ARG34CZ825[O], 1[P], 2[C],
GLN37OE1725[O], 1[P], 1[C],
GLN37NE2721[P], 5[O], 1[C],
GLN37CD822[C], 1[P], 5[O],
GLN37CG825[O], 1[P], 2[C],
ASN47CG222[O],
ASN47OD1222[O],
ASN47ND2423[O], 1[C],
GLN48OE1121[O],
TYR50CZ23212[O], 3[P], 2[N], 6[C],
TYR50CE21925[C], 1[N], 2[P], 11[O],
TYR50CG19211[O], 3[P], 5[C],
TYR50CD12123[P], 13[O], 5[C],
TYR50CD21822[P], 11[O], 5[C],
TYR50CE122213[O], 3[P], 1[N], 5[C],
LEU51CD2222[O],
VAL79CG2825[O], 1[P], 2[C],
VAL79CG11321[N], 7[C], 4[O], 1[P],
ILE80CG22325[N], 13[C], 5[O],
ILE80CG11724[O], 3[N], 10[C],
ILE80CD1921[O], 5[C], 3[N],
PRO81CG3525[N], 15[C], 2[P], 13[O],
PRO81CD3625[N], 15[C], 13[O], 3[P],
THR82OG1823[O], 5[C],
THR82CG2121[O],
LYS83CG824[N], 4[C],
LYS83CE1024[C], 5[N], 1[O],
LYS83CD724[C], 3[N],
LYS83NZ724[C], 3[N],
ILE85CD1421[O], 3[C],
ILE85CG1423[C], 1[O],
GLU91OE1724[C], 3[N],
GLU91OE21025[N], 5[C],
GLU91CG623[C], 3[N],
GLU91CD825[C], 3[N],
LEU92CG723[N], 4[C],
LEU92CD1923[N], 5[C], 1[O],
LEU92CD2724[C], 3[N],
SER106OG1621[P], 7[O], 1[N], 7[C],
LYS107CG2121[N], 13[C], 7[O],
LYS107NZ2328[O], 1[P], 12[C], 2[N],
LYS107CE23213[C], 2[N], 1[P], 7[O],
LYS107CD23213[C], 1[N], 1[P], 8[O],
ILE117CD1523[C], 2[O],
ILE117CG1121[O],
LEU136CD2323[C],
SER137OG722[O], 4[C], 1[N],
PRO139CG221[C], 1[O],
PRO139CD221[C], 1[O],
SER140OG1624[O], 10[C], 2[N],
HIS141ND11922[N], 9[C], 7[O], 1[P],
HIS141CG1721[N], 8[C], 7[O], 1[P],
HIS141CD21421[N], 6[C], 6[O], 1[P],
HIS141NE21426[O], 1[P], 6[C], 1[N],
HIS141CE11721[P], 7[O], 1[N], 8[C],
GLU143CD821[N], 4[C], 3[O],
GLU143CG321[O], 1[C], 1[N],
GLU143OE21121[N], 4[C], 5[O], 1[P],
GLU143OE11421[N], 7[C], 5[O], 1[P],
VAL145CG2321[N], 2[C],
THR151CG2121[O],
ILE153CG2221[C], 1[O],
LYS193CG723[C], 4[O],
LYS193CE19210[C], 1[N], 1[P], 7[O],
LYS193NZ2121[P], 7[O], 2[N], 11[C],
LYS193CD1127[O], 1[P], 3[C],
ASN194OD11727[O], 1[P], 8[C], 1[N],
ASN194ND22221[N], 11[C], 9[O], 1[P],
ASN194CG1821[P], 8[O], 1[N], 8[C],
ILE198CG1121[O],
ASP246OD11427[C], 1[N], 1[P], 5[O],
ASP246OD21124[O], 6[C], 1[N],
ASP246CG923[O], 6[C],
VAL249CG2523[C], 2[O],
VAL249CG1921[P], 5[O], 3[C],
THR250CG21021[P], 6[O], 3[C],
THR250OG11221[P], 6[O], 5[C],
SER253OG322[O], 1[C],
HIS255CG221[N], 1[O],
HIS255ND1221[N], 1[O],
SER256OG1023[C], 6[O], 1[P],
ARG257CG1824[C], 1[N], 3[P], 10[O],
ARG257CZ36215[C], 2[N], 3[P], 16[O],
ARG257NE3322[N], 13[C], 15[O], 3[P],
ARG257CD2322[N], 7[C], 11[O], 3[P],
ASN258ND21421[N], 6[C], 6[O], 1[P],
ASN258OD1621[P], 5[O],
ASN258CG926[O], 1[P], 2[C],
TRP259CG121[O],
MET278SD121[O],
MET278CE423[O], 1[P],
MET280CG16210[O], 2[P], 4[C],
MET280SD1227[O], 2[P], 1[N], 2[C],
MET280CE1026[O], 2[P], 2[C],
VAL281CG23122[P], 11[O], 14[C], 4[N],
VAL281CG12228[O], 2[P], 10[C], 2[N],
VAL282CG1322[O], 1[P],
VAL282CG2521[P], 4[O],
GLU283OE22021[N], 8[C], 10[O], 1[P],
GLU283OE1925[C], 4[O],
GLU283CG2223[P], 11[O], 7[C], 1[N],
GLU283CD1626[C], 1[N], 1[P], 8[O],
THR287OG1222[O],
Total = 128



Download csv file of statistical distribution of contacts