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: LRY_B_5(4UTU) / Model_27(4UTU/B) = [5.0] Download674.0418.00MPQISKEALIEQIKDGIIVSCQALPHEPLYTEAGGVIPLLVKAAEQGGAVGIRANSVRDIKEIKEVTKLPIIGIIKRDYPPQEPFITATMKEVDELAELDIEVIALDCTKRERYDGLEIQEFIRQVKEKYPNQLLMADTSIFEEGLAAVEAGIDFVGTTLSGYTSYSPKVDGPDFELIKKLCDAGVDVIAEGKIHTPEQAKQILEYGVRGIVVGGAITRPKEITERFVASLK
Complex: RFW_D_12(4UTW) / Model_23(4UTW/D) = [3.8] Download666.7218.00MPQISKEALIEQIKDGIIVSCQALPHEPLYTEAGGVIPLLVKAAEQGGAVGIRANSVRDIKEIKEVTKLPIIGIIKRDYPPQEPFITATMKEVDELAELDIEVIALDCTKRERYDGLEIQEFIRQVKEKYPNQLLMADTSIFEEGLAAVEAGIDFVGTTLSGYTSYSPKVDGPDFELIKKLCDAGVDVIAEGKIHTPEQAKQILEYGVRGIVVGGAITRPKEITERFVASLK
Consensus
[pKd Mean = 4.40]		-670
(s=3)		18
(s=0)		MPQISKEALIEQIKDGIIVSCQALPHEPLYTEAGGVIPLLVKAAEQGGAVGIRANSVRDIKEIKEVTKLPIIGIIKRDYPPQEPFITATMKEVDELAELDIEVIALDCTKRERYDGLEIQEFIRQVKEKYPNQLLMADTSIFEEGLAAVEAGIDFVGTTLSGYTSYSPKVDGPDFELIKKLCDAGVDVIAEGKIHTPEQAKQILEYGVRGIVVGGAITRPKEITERFVASLK



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]
SER20OG32216[O], 2[N], 2[P], 12[C],
GLN22CG24212[C], 2[N], 10[O],
GLN22NE23222[P], 14[C], 2[N], 14[O],
GLN22OE128212[O], 2[N], 14[C],
GLN22CD30214[C], 14[O], 2[N],
LEU24CD2422[O], 2[C],
LEU24CG724[O], 3[C],
LEU24CD11327[C], 1[N], 5[O],
GLU27OE1424[O],
GLU27CD323[O],
GLU27OE2624[O], 2[C],
ARG53CZ29215[C], 2[N], 12[O],
ARG53CD24210[O], 2[N], 12[C],
ARG53NE28212[O], 2[N], 14[C],
ARG53CG1926[O], 1[N], 12[C],
ASN55OD1121[O],
ASN55ND2523[C], 2[O],
ASN55CG522[O], 3[C],
ILE72CG2222[O],
ILE74CG2624[C], 2[O],
ILE74CD12422[N], 10[O], 12[C],
ILE74CG11121[N], 4[O], 6[C],
LYS76CG1626[O], 2[N], 8[C],
LYS76NZ32216[C], 2[N], 14[O],
LYS76CE28210[O], 2[N], 16[C],
LYS76CD25214[C], 9[O], 2[N],
PHE85CE120212[C], 2[N], 6[O],
PHE85CE21629[C], 2[N], 5[O],
PHE85CG1026[C], 2[O], 2[N],
PHE85CD118210[C], 6[O], 2[N],
PHE85CZ19211[C], 6[O], 2[N],
PHE85CD21022[N], 2[O], 6[C],
ILE86CD124214[C], 8[O], 2[N],
ILE86CG21529[C], 4[O], 2[N],
ILE86CG12028[O], 2[N], 10[C],
ASP138OD11322[N], 4[O], 7[C],
ASP138CG1522[N], 5[O], 8[C],
ASP138OD21926[O], 2[N], 11[C],
THR159OG126216[C], 8[O], 2[N],
THR159CG23422[N], 14[O], 2[P], 16[C],
LEU160CD11127[C], 2[O], 2[N],
LEU160CD21922[N], 7[O], 10[C],
LEU160CG1628[C], 2[N], 6[O],
TYR163CG1829[C], 2[N], 7[O],
TYR163CE125211[O], 2[N], 10[C], 2[P],
TYR163CD11626[O], 2[N], 8[C],
TYR163CD226210[O], 2[N], 14[C],
TYR163CE234214[O], 2[N], 2[P], 16[C],
TYR163CZ34215[C], 2[P], 15[O], 2[N],
GLU191OE126212[C], 2[P], 2[N], 10[O],
GLU191CG3622[P], 16[C], 16[O], 2[N],
GLU191OE238218[O], 2[N], 2[P], 16[C],
GLU191CD3622[P], 16[C], 16[O], 2[N],
LYS193CD422[O], 2[P],
LYS193CE222[O],
LYS193CG1022[P], 8[O],
LYS193NZ322[O], 1[P],
ILE194CG2423[O], 1[P],
ILE194CG11022[P], 2[C], 6[O],
ILE194CD11022[C], 2[P], 6[O],
HIS195CG424[O],
HIS195CD2424[O],
HIS195ND1822[P], 6[O],
HIS195NE2622[P], 4[O],
HIS195CE1826[O], 2[P],
VAL212CG21127[O], 4[C],
VAL212CG128214[O], 12[C], 2[P],
VAL213CG21228[O], 2[C], 2[P],
VAL213CG11222[C], 2[P], 8[O],
ILE217CD1222[O],
ILE217CG1222[O],
THR218OG11226[O], 2[P], 4[C],
ARG219NE2222[P], 10[C], 10[O],
ARG219CD2222[P], 8[C], 12[O],
ARG219CZ36214[C], 2[P], 18[O], 2[N],
ARG219CG1126[O], 3[C], 2[P],
GLU222OE216210[O], 2[P], 4[C],
GLU222CG222[O],
GLU222CD14210[O], 2[P], 2[C],
GLU222OE11722[P], 3[C], 12[O],
Total = 80



Download csv file of statistical distribution of contacts