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: NACID_V_5(1DE9) / Model_39(1DE9/B) = [5.6] Download--MRYNSIAKVRKLIRRSVLLLKFISWNVNGLRAIVNKNFLEVFHELDADFFCLQETKLQAGQIDLDLPGYYQYWNYAERKGYSGTAIFAKKPALNATYGMGIDIHDTEGRLITLEYSDFFLVTCYTPNSQSELKRLDYRLEWEEAFYNYLENLKKQKPVIVCGDLNVAHQKIDLKNWKTNQKNAGFTPEERAALSRLLDNGFIDTFRYFYPTQEGVYSWWNYRFNSRKNNAGWRIDYFLTSKDLEPGLADAKIHTDIMGSDHCPVELDLK
Complex: BCN_A_3(2JC5) / Model_96(2JC5/A) = [3.4] Download459.134.71MRYNSIAKVRKLIRRSVLLLKFISWNVNGLRAIVNKNFLEVFHELDADFFCLQETKLQAGQIDLDLPGYYQYWNYAERKGYSGTAIFAKKPALNATYGMGIDIHDTEGRLITLEYSDFFLVTCYTPNSQSELKRLDYRLEWEEAFYNYLENLKKQKPVIVCGDLNVAHQKIDLKNWKTNQKNAGFTPEERAALSRLLDNGFIDTFRYFYPTQEGVYSWWNYRFNSRKNNAGWRIDYFLTSKDLEPGLADAKIHTDIMGSDHCPVELDLK
Consensus
[pKd Mean = 4.50]		-459
(s=0)		4
(s=0)		MRYNSIAKVRKLIRRSVLLLKFISWNVNGLRAIVNKNFLEVFHELDADFFCLQETKLQAGQIDLDLPGYYQYWNYAERKGYSGTAIFAKKPALNATYGMGIDIHDTEGRLITLEYSDFFLVTCYTPNSQSELKRLDYRLEWEEAFYNYLENLKKQKPVIVCGDLNVAHQKIDLKNWKTNQKNAGFTPEERAALSRLLDNGFIDTFRYFYPTQEGVYSWWNYRFNSRKNNAGWRIDYFLTSKDLEPGLADAKIHTDIMGSDHCPVELDLK



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]
ASN26OD1621[C], 4[O], 1[P],
ASN26CG624[O], 1[P], 1[C],
ASN26ND2722[C], 1[P], 4[O],
ASN28OD1321[P], 2[O],
ASN28ND2121[O],
ASN28CG221[P], 1[O],
GLU54OE2822[C], 1[P], 5[O],
GLU54OE1621[C], 4[O], 1[P],
GLU54CD621[P], 4[O], 1[C],
GLU54CG524[O], 1[P],
ARG109CZ121[O],
TYR124CE2524[O], 1[P],
TYR124CZ722[C], 1[P], 4[O],
TYR124CD2421[P], 3[O],
TYR124CE1822[C], 1[P], 5[O],
TYR124CD1524[O], 1[P],
TYR124CG421[P], 3[O],
THR125CG2121[O],
ASN127CG24211[O], 2[P], 10[C], 1[N],
ASN127ND22721[N], 11[C], 13[O], 2[P],
ASN127OD12421[N], 9[C], 2[P], 12[O],
SER128OG1126[C], 1[N], 4[O],
GLN129NE21124[O], 1[N], 6[C],
GLN129CG1124[O], 1[N], 6[C],
GLN129CD1124[O], 6[C], 1[N],
GLN129OE11124[O], 1[N], 6[C],
SER130OG1023[N], 4[C], 3[O],
GLU131CG121[O],
GLU131OE2121[O],
LEU135CG121[O],
LEU135CD1321[C], 2[O],
ARG138CD522[C], 1[N], 2[O],
ARG138CZ825[C], 1[N], 2[O],
ARG138NE522[O], 2[C], 1[N],
ARG138CG422[C], 2[O],
ASP163OD21621[P], 6[O], 1[N], 8[C],
ASP163CG1325[O], 1[P], 1[N], 6[C],
ASP163OD11721[N], 9[C], 1[P], 6[O],
ASN165CG23211[C], 1[N], 1[P], 10[O],
ASN165OD12129[O], 1[P], 1[N], 10[C],
ASN165ND223210[O], 1[P], 1[N], 11[C],
VAL166CG2321[O], 2[C],
LEU173CD1723[O], 1[P], 3[C],
LEU173CG423[O], 1[P],
LYS174CG1122[C], 2[P], 7[O],
LYS174CD1322[P], 8[O], 3[C],
LYS174CE1227[O], 2[P], 3[C],
LYS174NZ1427[O], 2[P], 5[C],
ASN175OD11822[P], 8[O], 8[C],
ASN175ND234217[C], 4[N], 11[O], 2[P],
ASN175CG2622[N], 12[C], 10[O], 2[P],
THR178CG23821[P], 6[O], 21[C], 10[N],
THR178OG12021[P], 5[O], 9[C], 5[N],
ASN179ND24622[P], 12[O], 25[C], 7[N],
ASN179CG3522[P], 9[O], 19[C], 5[N],
ASN179OD13529[O], 1[P], 5[N], 20[C],
ASN182OD140212[O], 2[P], 7[N], 19[C],
ASN182ND247213[O], 2[P], 23[C], 9[N],
ASN182CG4122[P], 11[O], 20[C], 8[N],
GLU189CG121[O],
GLU189OE2823[O], 4[C], 1[N],
GLU189CD523[C], 2[O],
GLU189OE1722[O], 1[N], 4[C],
SER217OG121[O],
TRP218NE125211[O], 2[P], 1[N], 11[C],
TRP218CZ234215[O], 3[P], 1[N], 15[C],
TRP218CE230213[C], 1[N], 14[O], 2[P],
TRP218CD12321[N], 11[C], 2[P], 9[O],
TRP218CE337216[C], 1[N], 3[P], 17[O],
TRP218CG2522[P], 11[O], 11[C], 1[N],
TRP218CD23023[P], 13[O], 1[N], 13[C],
TRP218CZ339218[C], 2[N], 16[O], 3[P],
TRP219CG121[O],
TRP219CD1121[O],
ASN220CG3926[N], 20[C], 2[P], 11[O],
ASN220ND24629[N], 23[C], 12[O], 2[P],
ASN220OD13322[P], 11[O], 3[N], 17[C],
ARG222CZ2527[N], 11[C], 1[P], 6[O],
ARG222CG2221[P], 4[O], 11[C], 6[N],
ARG222NE2426[O], 1[P], 7[N], 10[C],
ARG222CD3327[O], 1[P], 18[C], 7[N],
PHE223CE14329[N], 24[C], 1[P], 9[O],
PHE223CD14229[O], 1[P], 9[N], 23[C],
PHE223CG3025[N], 16[C], 8[O], 1[P],
PHE223CE22822[P], 7[O], 14[C], 5[N],
PHE223CZ3427[O], 1[P], 7[N], 19[C],
PHE223CD22727[O], 1[P], 14[C], 5[N],
SER225OG26212[C], 1[N], 2[P], 11[O],
ASN228OD1221[O], 1[P],
ASN228CG523[O], 1[P], 1[C],
ASN228ND2823[C], 4[O], 1[P],
TRP232CE23522[P], 12[O], 2[N], 19[C],
TRP232CZ331213[O], 2[P], 1[N], 15[C],
TRP232CD12922[P], 11[O], 15[C], 1[N],
TRP232CE32921[N], 14[C], 2[P], 12[O],
TRP232CD231212[O], 2[P], 1[N], 16[C],
TRP232NE13623[N], 19[C], 12[O], 2[P],
TRP232CZ23824[N], 19[C], 2[P], 13[O],
TRP232CG28210[O], 2[P], 1[N], 15[C],
ILE234CG22021[P], 7[O], 1[N], 11[C],
ILE234CD127212[C], 1[N], 12[O], 2[P],
ILE234CG119211[C], 1[N], 6[O], 1[P],
ASP235CG121[O],
ASP235OD1421[P], 3[O],
ASP235OD2121[O],
SER259OG121[O],
ASP260OD1621[C], 1[P], 4[O],
ASP260CG1024[C], 1[P], 5[O],
ASP260OD21525[C], 2[P], 8[O],
HIS261ND11025[O], 1[P], 4[C],
HIS261NE21721[N], 7[C], 1[P], 8[O],
HIS261CG621[C], 1[P], 4[O],
HIS261CE11521[N], 7[C], 1[P], 6[O],
HIS261CD21125[O], 1[P], 5[C],
Total = 114



Download csv file of statistical distribution of contacts