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 :C4_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 C4_S1
Complex: 7QA_C_16(5U1H) / Model_81(5U1H/C) = [4.9] Download700.268.69MEMMMKSIKHLAFPLLSAALVMTGCASRKPATTATTGTTNPSTVNTTGLSEDAALNAQNLAGASSKGVTEANKAALAKRIVHFDYDSSDLSTEDYQTLQAHAQFLMANANSKVALTGHTDERGTREYNMALGERRAKAVQNYLITSGVNPQQLEAVSYGKEAPVNPGHDESAWKENRRVEINYEAVPPLLK
Complex: API_A_2(4G4V) / Model_74(4G4V/A) = [4.7] Download435.164.17MEMMMKSIKHLAFPLLSAALVMTGCASRKPATTATTGTTNPSTVNTTGLSEDAALNAQNLAGASSKGVTEANKAALAKRIVHFDYDSSDLSTEDYQTLQAHAQFLMANANSKVALTGHTDERGTREYNMALGERRAKAVQNYLITSGVNPQQLEAVSYGKEAPVNPGHDESAWKENRRVEINYEAVPPLLK
Consensus
[pKd Mean = 4.80]		-567
(s=132)		6
(s=2)		MEMMMKSIKHLAFPLLSAALVMTGCASRKPATTATTGTTNPSTVNTTGLSEDAALNAQNLAGASSKGVTEANKAALAKRIVHFDYDSSDLSTEDYQTLQAHAQFLMANANSKVALTGHTDERGTREYNMALGERRAKAVQNYLITSGVNPQQLEAVSYGKEAPVNPGHDESAWKENRRVEINYEAVPPLLK



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]
PHE83CD1121[O],
PHE83CG424[O],
TYR85CE23425[N], 18[C], 11[O],
TYR85CE133210[O], 5[N], 18[C],
TYR85CD23229[O], 18[C], 5[N],
TYR85CZ34218[C], 5[N], 11[O],
TYR85CG3029[O], 16[C], 5[N],
TYR85CD13029[O], 5[N], 16[C],
ASP86OD13229[O], 18[C], 5[N],
ASP86CG33210[O], 18[C], 5[N],
ASP86OD232217[C], 5[N], 10[O],
SER87OG222[O],
THR119CG216210[C], 2[N], 4[O],
THR119OG11422[N], 8[C], 4[O],
ASP120OD12126[O], 12[C], 3[N],
ASP120OD219212[C], 2[N], 5[O],
ASP120CG17210[C], 2[N], 5[O],
GLU121CG222[N],
ARG122CD2627[O], 16[C], 3[N],
ARG122CZ1926[O], 11[C], 2[N],
ARG122CG32210[O], 18[C], 4[N],
ARG122NE27216[C], 4[N], 7[O],
THR124CG2924[O], 5[C],
THR124OG1921[N], 5[C], 3[O],
TYR127CG23213[C], 5[N], 5[O],
TYR127CE23129[O], 17[C], 5[N],
TYR127CZ2825[N], 16[C], 7[O],
TYR127CD120211[C], 4[N], 5[O],
TYR127CE119211[C], 3[N], 5[O],
TYR127CD23029[O], 5[N], 16[C],
ASN128CG2524[N], 14[C], 7[O],
ASN128OD128215[C], 5[N], 8[O],
ASN128ND225214[C], 4[N], 7[O],
LEU131CD117211[C], 2[N], 4[O],
LEU131CD22526[O], 4[N], 15[C],
LEU131CG1924[O], 12[C], 3[N],
ARG135CZ1529[C], 2[N], 4[O],
ARG135CD1025[C], 1[N], 4[O],
ARG135CG622[C], 4[O],
ARG135NE1224[O], 6[C], 2[N],
LYS160NZ121[N],
LYS160CG321[O], 2[N],
LYS160CE121[N],
LYS160CD421[C], 2[N], 1[O],
TRP173CZ3121[O],
TRP173CD2422[N], 2[C],
TRP173CG822[O], 2[N], 4[C],
TRP173CE3321[N], 2[C],
TRP173CD1521[C], 2[N], 2[O],
ARG177CD1529[C], 2[N], 4[O],
ARG177CZ1224[O], 6[C], 2[N],
ARG177NE1222[N], 6[C], 4[O],
ARG177CG1424[O], 8[C], 2[N],
Total = 53



Download csv file of statistical distribution of contacts