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: GNP_A_4(3R9W) / Model_1(3R9W/A) = [9.1] Download809.8714.69MPEHKSGFVAIVGRPNVGKSTLLNRIVGQKIAIMSDKAQTTRNKIQGVYTTPEAQLIFIDTPGIHKPKHRLGDFMVEAAYSALKEVDAVLFMISADQKRGRGDDFIIERLKNVHSPVYLIINKIDKIHPDELLGIIEDYSTQMPFAQVIPISATEGNNVERLMDVLVSEMPEGPQYFPDDQVTDHPEYFIVSELIREKVLFLTRDEVPHSVAVVVDSMKRNENDKIHIQATIIVERDSQKGIIIGKGGKMLKQVGTKARKDIENLLGDKVFLELWVKVQKDWRDKKVYLQDFGYRKDEY
Complex: GDP_B_10(3IEU) / Model_21(3IEU/B) = [7.5] Download1108.3014.95MPEHKSGFVAIVGRPNVGKSTLLNRIVGQKIAIMSDKAQTTRNKIQGVYTTPEAQLIFIDTPGIHKPKHRLGDFMVEAAYSALKEVDAVLFMISADQKRGRGDDFIIERLKNVHSPVYLIINKIDKIHPDELLGIIEDYSTQMPFAQVIPISATEGNNVERLMDVLVSEMPEGPQYFPDDQVTDHPEYFIVSELIREKVLFLTRDEVPHSVAVVVDSMKRNENDKIHIQATIIVERDSQKGIIIGKGGKMLKQVGTKARKDIENLLGDKVFLELWVKVQKDWRDKKVYLQDFGYRKDEY
Consensus
[pKd Mean = 8.30]		-959
(s=149)		14
(s=0)		MPEHKSGFVAIVGRPNVGKSTLLNRIVGQKIAIMSDKAQTTRNKIQGVYTTPEAQLIFIDTPGIHKPKHRLGDFMVEAAYSALKEVDAVLFMISADQKRGRGDDFIIERLKNVHSPVYLIINKIDKIHPDELLGIIEDYSTQMPFAQVIPISATEGNNVERLMDVLVSEMPEGPQYFPDDQVTDHPEYFIVSELIREKVLFLTRDEVPHSVAVVVDSMKRNENDKIHIQATIIVERDSQKGIIIGKGGKMLKQVGTKARKDIENLLGDKVFLELWVKVQKDWRDKKVYLQDFGYRKDEY



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]
ILE11CG2424[O],
ARG14CG424[O],
PRO15CG1223[P], 8[O], 1[N],
PRO15CD1123[P], 7[O], 1[N],
ASN16CG39211[C], 20[O], 3[N], 5[P],
ASN16OD139211[C], 21[O], 2[N], 5[P],
ASN16ND23823[N], 13[C], 17[O], 5[P],
VAL17CG22521[N], 4[C], 15[O], 5[P],
VAL17CG11321[N], 9[O], 3[P],
LYS19CE20214[O], 1[N], 5[P],
LYS19CD1825[P], 1[N], 12[O],
LYS19NZ2425[P], 1[N], 16[O], 2[C],
LYS19CG22216[O], 1[N], 5[P],
SER20OG2425[P], 1[N], 16[O], 2[C],
THR21OG154220[C], 21[O], 9[N], 4[P],
THR21CG24828[N], 18[O], 20[C], 2[P],
LEU22CG121[O],
ASN24CG222[O],
ASN24ND2524[O], 1[P],
ILE33CG1222[O],
ILE33CD1121[O],
MET34SD2822[P], 12[O], 12[C], 2[N],
MET34CE1425[C], 8[O], 1[P],
MET34CG2228[C], 12[O], 2[P],
SER35OG1323[P], 1[N], 6[O], 3[C],
ASP36OD2321[O], 2[C],
ASP36OD1421[O], 3[C],
ASP36CG624[C], 2[O],
LYS37CG121[O],
GLN39OE1121[O],
GLN39CG421[P], 3[O],
GLN39NE2121[O],
GLN39CD121[O],
THR40OG11723[P], 1[N], 10[O], 3[C],
THR40CG21321[N], 1[C], 8[O], 3[P],
THR41OG11323[P], 9[O], 1[N],
THR41CG2821[N], 5[O], 2[P],
ARG42CG222[O],
ILE45CD1222[O],
GLN46OE1121[O],
ASP60OD21123[P], 7[O], 1[N],
ASP60CG1123[P], 7[O], 1[N],
ASP60OD11228[O], 1[N], 3[P],
THR61OG1222[O],
PRO62CG423[O], 1[P],
PRO62CD321[P], 2[O],
HIS65ND1222[O],
MET75CE421[P], 3[O],
MET75SD121[O],
MET92CE1922[N], 10[O], 4[C], 3[P],
MET92CG421[P], 1[N], 2[O],
MET92SD1924[P], 2[N], 10[O], 3[C],
SER94OG2028[N], 3[O], 9[C],
ASN122ND24724[P], 10[N], 19[C], 14[O],
ASN122OD12523[O], 12[C], 10[N],
ASN122CG30210[N], 7[O], 13[C],
LYS123CG38210[N], 8[O], 20[C],
LYS123NZ52218[O], 20[C], 10[N], 4[P],
LYS123CD42210[N], 11[O], 20[C], 1[P],
LYS123CE51210[N], 20[C], 17[O], 4[P],
ILE124CD1121[O],
ILE124CG1622[C], 2[O], 2[N],
ILE124CG2222[O],
ASP125CG22210[C], 2[O], 10[N],
ASP125OD124210[N], 12[C], 2[O],
ASP125OD223210[N], 11[C], 2[O],
LYS126NZ1728[C], 2[O], 7[N],
LYS126CD2223[O], 10[C], 9[N],
LYS126CG21210[C], 3[O], 8[N],
LYS126CE22210[C], 3[O], 9[N],
ILE151CG1822[N], 4[C], 2[O],
ILE151CD1723[C], 2[O], 2[N],
ILE151CG2121[O],
SER152OG2222[O], 10[C], 10[N],
THR154OG14121[P], 19[C], 11[O], 10[N],
THR154CG231215[C], 6[O], 10[N],
GLU155OE1722[O], 2[C], 3[N],
GLU155CD1325[N], 2[O], 6[C],
GLU155OE21325[N], 6[C], 2[O],
GLU155CG1425[N], 2[O], 7[C],
VAL159CG2121[O],
GLU197OE2121[O],
GLN279OE1622[O], 2[C], 2[N],
GLN279NE21729[C], 3[O], 5[N],
GLN279CD1222[O], 7[C], 3[N],
GLN279CG621[N], 2[O], 3[C],
LYS280CE121[N],
Total = 87



Download csv file of statistical distribution of contacts